CID 361911

72743-28-3

Structural Information

Molecular Formula
C16H13N3O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C16H13N3O3/c1-10-17-14-5-3-2-4-13(14)15(20)19(10)18-12-8-6-11(7-9-12)16(21)22/h2-9,18H,1H3,(H,21,22)
InChIKey
HFQRTKIEGCNSTC-UHFFFAOYSA-N
Compound name
4-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0957 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10298 166.1
[M+Na]+ 318.08492 175.4
[M-H]- 294.08842 170.5
[M+NH4]+ 313.12952 178.6
[M+K]+ 334.05886 170.2
[M+H-H2O]+ 278.09296 156.7
[M+HCOO]- 340.09390 186.2
[M+CH3COO]- 354.10955 204.2
[M+Na-2H]- 316.07037 172.4
[M]+ 295.09515 166.8
[M]- 295.09625 166.8
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.