CID 2927539

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

Structural Information

Molecular Formula
C24H25N5O3
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CC=C4)C(=O)NCCCOC
InChI
InChI=1S/C24H25N5O3/c1-16-8-6-12-28-21(16)27-22-19(24(28)31)14-18(23(30)26-11-7-13-32-2)20(25)29(22)15-17-9-4-3-5-10-17/h3-6,8-10,12,14,25H,7,11,13,15H2,1-2H3,(H,26,30)
InChIKey
SJTRDEHBNLRDRB-UHFFFAOYSA-N
Compound name
7-benzyl-6-imino-N-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.19574 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20302 206.6
[M+Na]+ 454.18496 215.8
[M-H]- 430.18846 211.6
[M+NH4]+ 449.22956 213.6
[M+K]+ 470.15890 208.4
[M+H-H2O]+ 414.19300 194.2
[M+HCOO]- 476.19394 225.8
[M+CH3COO]- 490.20959 214.8
[M+Na-2H]- 452.17041 212.4
[M]+ 431.19519 211.4
[M]- 431.19629 211.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.