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

91
Patents

185.05891 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.066186 142.2
[M+Na]+ 208.048128 154.2
[M-H]- 184.051634 143.6
[M+NH4]+ 203.092733 158.9
[M+K]+ 224.022068 148.3
[M+H-H2O]+ 168.056170 129.4
[M+HCOO]- 230.057111 160.5
[M+CH3COO]- 244.072761 153.6
[M+Na-2H]- 206.033576 148.7
[M]+ 185.05836142 135.0
[M]- 185.05945858 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