CID 5493645

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

Structural Information

Molecular Formula
C14H8ClN5O2
SMILES
C1=CC(=CC=C1C2=C(C(=NC3=C2C(=O)NC(=O)N3)N)C#N)Cl
InChI
InChI=1S/C14H8ClN5O2/c15-7-3-1-6(2-4-7)9-8(5-16)11(17)18-12-10(9)13(21)20-14(22)19-12/h1-4H,(H4,17,18,19,20,21,22)
InChIKey
SQMCKONPJVJJKF-UHFFFAOYSA-N
Compound name
7-amino-5-(4-chlorophenyl)-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

313.03665 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.04393 174.6
[M+Na]+ 336.02587 188.2
[M-H]- 312.02937 174.4
[M+NH4]+ 331.07047 183.8
[M+K]+ 351.99981 178.7
[M+H-H2O]+ 296.03391 159.6
[M+HCOO]- 358.03485 184.6
[M+CH3COO]- 372.05050 182.8
[M+Na-2H]- 334.01132 178.0
[M]+ 313.03610 168.7
[M]- 313.03720 168.7
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.