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]+ 326.161146 177.1
[M+Na]+ 348.143088 188.0
[M-H]- 324.146594 179.6
[M+NH4]+ 343.187693 189.3
[M+K]+ 364.117028 181.7
[M+H-H2O]+ 308.151130 167.3
[M+HCOO]- 370.152071 197.7
[M+CH3COO]- 384.167721 216.8
[M+Na-2H]- 346.128536 184.7
[M]+ 325.15332142 180.8
[M]- 325.15441858 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.