CID 10997730

2-amino-4-oxo-1,4-dihydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H7N3O
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(N2)N)C#N
InChI
InChI=1S/C10H7N3O/c11-5-7-9(14)6-3-1-2-4-8(6)13-10(7)12/h1-4H,(H3,12,13,14)
InChIKey
USKBIWBLJHCVOP-UHFFFAOYSA-N
Compound name
2-amino-4-oxo-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

185.05891 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06619 142.2
[M+Na]+ 208.04813 154.2
[M-H]- 184.05163 143.6
[M+NH4]+ 203.09273 158.9
[M+K]+ 224.02207 148.3
[M+H-H2O]+ 168.05617 129.4
[M+HCOO]- 230.05711 160.5
[M+CH3COO]- 244.07276 153.6
[M+Na-2H]- 206.03358 148.7
[M]+ 185.05836 135.0
[M]- 185.05946 135.0
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

patents stripe