CID 5493615

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

Structural Information

Molecular Formula
C14H8N6O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=NC3=C2C(=O)NC(=O)N3)N)C#N
InChI
InChI=1S/C14H8N6O4/c15-5-8-9(6-2-1-3-7(4-6)20(23)24)10-12(17-11(8)16)18-14(22)19-13(10)21/h1-4H,(H4,16,17,18,19,21,22)
InChIKey
BZOVZSGXAHUSBV-UHFFFAOYSA-N
Compound name
7-amino-5-(3-nitrophenyl)-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

324.0607 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.06798 178.6
[M+Na]+ 347.04992 188.7
[M-H]- 323.05342 178.4
[M+NH4]+ 342.09452 185.1
[M+K]+ 363.02386 177.7
[M+H-H2O]+ 307.05796 166.3
[M+HCOO]- 369.05890 193.1
[M+CH3COO]- 383.07455 210.4
[M+Na-2H]- 345.03537 184.2
[M]+ 324.06015 169.1
[M]- 324.06125 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.