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 175.7
[M+Na]+ 348.14309 190.2
[M+NH4]+ 343.18769 181.5
[M+K]+ 364.11703 183.0
[M-H]- 324.14659 177.7
[M+Na-2H]- 346.12854 181.3
[M]+ 325.15332 178.1
[M]- 325.15442 178.1
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.