CID 3151393

2-imino-1-(2-methoxyethyl)-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C15H15N5O3
SMILES
COCCN1C2=C(C=C(C1=N)C(=O)N)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C15H15N5O3/c1-23-7-6-20-12(16)9(13(17)21)8-10-14(20)18-11-4-2-3-5-19(11)15(10)22/h2-5,8,16H,6-7H2,1H3,(H2,17,21)
InChIKey
RKCGDRXFSBUDMT-UHFFFAOYSA-N
Compound name
6-imino-7-(2-methoxyethyl)-2-oxo-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

313.1175 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12478 170.9
[M+Na]+ 336.10672 182.4
[M-H]- 312.11022 173.3
[M+NH4]+ 331.15132 183.1
[M+K]+ 352.08066 177.0
[M+H-H2O]+ 296.11476 161.4
[M+HCOO]- 358.11570 191.8
[M+CH3COO]- 372.13135 213.3
[M+Na-2H]- 334.09217 178.7
[M]+ 313.11695 174.5
[M]- 313.11805 174.5
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.