CID 3151363

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

Structural Information

Molecular Formula
C19H23N5O3
SMILES
CCCN1C2=C(C=C(C1=N)C(=O)NCCCOC)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C19H23N5O3/c1-3-9-24-16(20)13(18(25)21-8-6-11-27-2)12-14-17(24)22-15-7-4-5-10-23(15)19(14)26/h4-5,7,10,12,20H,3,6,8-9,11H2,1-2H3,(H,21,25)
InChIKey
GTLSICMMQIZKLZ-UHFFFAOYSA-N
Compound name
6-imino-N-(3-methoxypropyl)-2-oxo-7-propyl-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

2
References

0
Patents

369.18008 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18736 188.5
[M+Na]+ 392.16930 198.1
[M-H]- 368.17280 190.5
[M+NH4]+ 387.21390 198.6
[M+K]+ 408.14324 192.2
[M+H-H2O]+ 352.17734 178.0
[M+HCOO]- 414.17828 208.5
[M+CH3COO]- 428.19393 224.9
[M+Na-2H]- 390.15475 195.2
[M]+ 369.17953 194.1
[M]- 369.18063 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.