CID 5493614

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

Structural Information

Molecular Formula
C14H8BrN5O2
SMILES
C1=CC(=CC=C1C2=C(C(=NC3=C2C(=O)NC(=O)N3)N)C#N)Br
InChI
InChI=1S/C14H8BrN5O2/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
NLPQXLRZNAPQQG-UHFFFAOYSA-N
Compound name
7-amino-5-(4-bromophenyl)-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

356.98615 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.99343 171.4
[M+Na]+ 379.97537 186.0
[M-H]- 355.97887 172.5
[M+NH4]+ 375.01997 181.6
[M+K]+ 395.94931 170.4
[M+H-H2O]+ 339.98341 161.6
[M+HCOO]- 401.98435 185.6
[M+CH3COO]- 416.00000 181.0
[M+Na-2H]- 377.96082 176.2
[M]+ 356.98560 180.4
[M]- 356.98670 180.4
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.