CID 5493647

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

Structural Information

Molecular Formula
C14H9N5O3
SMILES
C1=CC(=CC(=C1)O)C2=C(C(=NC3=C2C(=O)NC(=O)N3)N)C#N
InChI
InChI=1S/C14H9N5O3/c15-5-8-9(6-2-1-3-7(20)4-6)10-12(17-11(8)16)18-14(22)19-13(10)21/h1-4,20H,(H4,16,17,18,19,21,22)
InChIKey
QUHYNPLVFUTONZ-UHFFFAOYSA-N
Compound name
7-amino-5-(3-hydroxyphenyl)-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

295.07053 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07781 172.9
[M+Na]+ 318.05975 185.1
[M-H]- 294.06325 171.8
[M+NH4]+ 313.10435 181.2
[M+K]+ 334.03369 177.0
[M+H-H2O]+ 278.06779 157.5
[M+HCOO]- 340.06873 185.8
[M+CH3COO]- 354.08438 180.7
[M+Na-2H]- 316.04520 176.3
[M]+ 295.06998 164.7
[M]- 295.07108 164.7
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.