CID 84772225

2-oxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1C2=C(C=C(C=C2)C(=O)O)NC(=O)N1
InChI
InChI=1S/C9H8N2O3/c12-8(13)5-1-2-6-4-10-9(14)11-7(6)3-5/h1-3H,4H2,(H,12,13)(H2,10,11,14)
InChIKey
KHQWJBJQHOEFOS-UHFFFAOYSA-N
Compound name
2-oxo-3,4-dihydro-1H-quinazoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

192.0535 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 139.2
[M+Na]+ 215.042718 146.7
[M-H]- 191.046224 136.9
[M+NH4]+ 210.087323 154.8
[M+K]+ 231.016658 142.4
[M+H-H2O]+ 175.050760 132.7
[M+HCOO]- 237.051701 153.6
[M+CH3COO]- 251.067351 175.2
[M+Na-2H]- 213.028166 144.7
[M]+ 192.05295142 133.6
[M]- 192.05404858 133.6
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