PubChemLite - 2-imino-1-(3-methoxypropyl)-10-methyl-5-oxo-n-(3-pyridinylmethyl)-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide (C23H24N6O3)

Structural Information

Molecular Formula

SMILES

CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H24N6O3/c1-15-6-4-9-29-20(15)27-21-18(23(29)31)12-17(19(24)28(21)10-5-11-32-2)22(30)26-14-16-7-3-8-25-13-16/h3-4,6-9,12-13,24H,5,10-11,14H2,1-2H3,(H,26,30)

InChIKey

IBEVGUJBQYHISH-UHFFFAOYSA-N

Compound name

6-imino-7-(3-methoxypropyl)-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]+	433.19826	207.2
[M+Na]+	455.18020	216.7
[M-H]-	431.18370	211.0
[M+NH4]+	450.22480	212.7
[M+K]+	471.15414	209.1
[M+H-H2O]+	415.18824	194.4
[M+HCOO]-	477.18918	225.2
[M+CH3COO]-	491.20483	215.0
[M+Na-2H]-	453.16565	213.6
[M]+	432.19043	212.1
[M]-	432.19153	212.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.19826

207.2

[M+Na]+

455.18020

216.7

[M-H]-

431.18370

211.0

[M+NH4]+

450.22480

212.7

[M+K]+

471.15414

209.1

[M+H-H2O]+

415.18824

194.4

[M+HCOO]-

477.18918

225.2

[M+CH3COO]-

491.20483

215.0

[M+Na-2H]-

453.16565

213.6

[M]+

432.19043

212.1

[M]-

432.19153

212.1

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

2-imino-1-(3-methoxypropyl)-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