CID 706452

N-ethyl-2-imino-5-oxo-1-propyl-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C17H19N5O2
SMILES
CCCN1C2=C(C=C(C1=N)C(=O)NCC)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C17H19N5O2/c1-3-8-22-14(18)11(16(23)19-4-2)10-12-15(22)20-13-7-5-6-9-21(13)17(12)24/h5-7,9-10,18H,3-4,8H2,1-2H3,(H,19,23)
InChIKey
BRJGOGRDSYGNOY-UHFFFAOYSA-N
Compound name
N-ethyl-6-imino-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

325.15387 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16115 177.1
[M+Na]+ 348.14309 188.0
[M-H]- 324.14659 179.6
[M+NH4]+ 343.18769 189.3
[M+K]+ 364.11703 181.7
[M+H-H2O]+ 308.15113 167.3
[M+HCOO]- 370.15207 197.7
[M+CH3COO]- 384.16772 216.8
[M+Na-2H]- 346.12854 184.7
[M]+ 325.15332 180.8
[M]- 325.15442 180.8
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.