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 171.2
[M+Na]+ 334.12742 186.0
[M+NH4]+ 329.17202 177.2
[M+K]+ 350.10136 179.0
[M-H]- 310.13092 173.3
[M+Na-2H]- 332.11287 177.1
[M]+ 311.13765 173.7
[M]- 311.13875 173.7
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.