CID 5493616

7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1h-pyrido[2,3-d]pyrimidine-6-carbonitrile

Structural Information

Molecular Formula
C16H13N5O4
SMILES
COC1=C(C=C(C=C1)C2=C(C(=NC3=C2C(=O)NC(=O)N3)N)C#N)OC
InChI
InChI=1S/C16H13N5O4/c1-24-9-4-3-7(5-10(9)25-2)11-8(6-17)13(18)19-14-12(11)15(22)21-16(23)20-14/h3-5H,1-2H3,(H4,18,19,20,21,22,23)
InChIKey
XTLJDCFIXVZRCG-UHFFFAOYSA-N
Compound name
7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.09674 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10402 181.7
[M+Na]+ 362.08596 193.8
[M-H]- 338.08946 181.7
[M+NH4]+ 357.13056 189.1
[M+K]+ 378.05990 187.0
[M+H-H2O]+ 322.09400 165.5
[M+HCOO]- 384.09494 195.3
[M+CH3COO]- 398.11059 220.3
[M+Na-2H]- 360.07141 184.1
[M]+ 339.09619 177.2
[M]- 339.09729 177.2
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.