CID 3057633

74101-52-3

Structural Information

Molecular Formula
C16H11ClN2O3
SMILES
CC1=NC2=C(C=CC(=C2)C(=O)O)C(=O)N1C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H11ClN2O3/c1-9-18-14-7-10(16(21)22)5-6-13(14)15(20)19(9)12-4-2-3-11(17)8-12/h2-8H,1H3,(H,21,22)
InChIKey
CHPREKFGDJCTAO-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0458 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05308 167.4
[M+Na]+ 337.03502 179.4
[M-H]- 313.03852 172.1
[M+NH4]+ 332.07962 180.8
[M+K]+ 353.00896 172.8
[M+H-H2O]+ 297.04306 159.1
[M+HCOO]- 359.04400 181.9
[M+CH3COO]- 373.05965 179.1
[M+Na-2H]- 335.02047 172.0
[M]+ 314.04525 171.6
[M]- 314.04635 171.6
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

No patent data available for this compound.