PubChemLite - N-allyl-2-imino-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide (C20H23N5O3)

Structural Information

Molecular Formula

SMILES

CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=O)NCC=C

InChI

InChI=1S/C20H23N5O3/c1-4-8-22-19(26)14-12-15-18(24(16(14)21)10-6-11-28-3)23-17-13(2)7-5-9-25(17)20(15)27/h4-5,7,9,12,21H,1,6,8,10-11H2,2-3H3,(H,22,26)

InChIKey

XSAFEMWCHSOFIN-UHFFFAOYSA-N

Compound name

6-imino-7-(3-methoxypropyl)-11-methyl-2-oxo-N-prop-2-enyl-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]+	382.18736	191.5
[M+Na]+	404.16930	205.3
[M+NH4]+	399.21390	195.9
[M+K]+	420.14324	198.1
[M-H]-	380.17280	192.8
[M+Na-2H]-	402.15475	195.5
[M]+	381.17953	193.6
[M]-	381.18063	193.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

382.18736

191.5

[M+Na]+

404.16930

205.3

[M+NH4]+

399.21390

195.9

[M+K]+

420.14324

198.1

[M-H]-

380.17280

192.8

[M+Na-2H]-

402.15475

195.5

[M]+

381.17953

193.6

[M]-

381.18063

193.6

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

N-allyl-2-imino-1-(3-methoxypropyl)-10-methyl-5-oxo-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

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