1-(2-furylmethyl)-2-imino-10-methyl-5-oxo-n-(3-pyridinylmethyl)-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide (C24H20N6O3)

Structural Information

Molecular Formula

SMILES

CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C24H20N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-12,25H,13-14H2,1H3,(H,27,31)

InChIKey

ZGVUELIYMFAXME-UHFFFAOYSA-N

Compound name

7-(furan-2-ylmethyl)-6-imino-11-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	441.166976	207.1
[M+Na]+	463.148918	217.5
[M-H]-	439.152424	215.6
[M+NH4]+	458.193523	212.4
[M+K]+	479.122858	210.4
[M+H-H2O]+	423.156960	194.5
[M+HCOO]-	485.157901	226.0
[M+CH3COO]-	499.173551	215.8
[M+Na-2H]-	461.134366	212.2
[M]+	440.15915142	211.3
[M]-	440.16024858	211.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.166976

207.1

[M+Na]+

463.148918

217.5

[M-H]-

439.152424

215.6

[M+NH4]+

458.193523

212.4

[M+K]+

479.122858

210.4

[M+H-H2O]+

423.156960

194.5

[M+HCOO]-

485.157901

226.0

[M+CH3COO]-

499.173551

215.8

[M+Na-2H]-

461.134366

212.2

[M]+

440.15915142

211.3

[M]-

440.16024858

211.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-(2-furylmethyl)-2-imino-10-methyl-5-oxo-n-(3-pyridinylmethyl)-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe