CID 706451

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

Structural Information

Molecular Formula
C16H17N5O2
SMILES
CCCN1C2=C(C=C(C1=N)C(=O)NC)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C16H17N5O2/c1-3-7-21-13(17)10(15(22)18-2)9-11-14(21)19-12-6-4-5-8-20(12)16(11)23/h4-6,8-9,17H,3,7H2,1-2H3,(H,18,22)
InChIKey
XOUSTQKYNPIDRM-UHFFFAOYSA-N
Compound name
6-imino-N-methyl-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

311.1382 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14548 172.6
[M+Na]+ 334.12742 184.0
[M-H]- 310.13092 175.3
[M+NH4]+ 329.17202 185.4
[M+K]+ 350.10136 177.9
[M+H-H2O]+ 294.13546 163.1
[M+HCOO]- 356.13640 193.6
[M+CH3COO]- 370.15205 213.8
[M+Na-2H]- 332.11287 180.8
[M]+ 311.13765 176.0
[M]- 311.13875 176.0
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.