CID 3056014

73265-30-2

Structural Information

Molecular Formula
C21H13ClN2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CC=C3Cl)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C21H13ClN2O3/c22-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)20(25)24(19)14-11-9-13(10-12-14)21(26)27/h1-12H,(H,26,27)
InChIKey
ZJOJSOYNAVLQDJ-UHFFFAOYSA-N
Compound name
4-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.06146 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.06874 186.0
[M+Na]+ 399.05068 196.7
[M-H]- 375.05418 193.2
[M+NH4]+ 394.09528 196.0
[M+K]+ 415.02462 188.8
[M+H-H2O]+ 359.05872 175.4
[M+HCOO]- 421.05966 199.8
[M+CH3COO]- 435.07531 196.1
[M+Na-2H]- 397.03613 190.2
[M]+ 376.06091 189.1
[M]- 376.06201 189.1
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.