CID 15195412

88190-77-6

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=N2)C(=O)O
InChI
InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-14(17-12)15(19)20/h1-8,13H,(H,17,18)(H,19,20)
InChIKey
QECBNIFGTIYTMP-UHFFFAOYSA-N
Compound name
6-chloro-4-phenyl-1,4-dihydroquinazoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0509 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 161.5
[M+Na]+ 309.04012 170.5
[M-H]- 285.04362 163.7
[M+NH4]+ 304.08472 174.8
[M+K]+ 325.01406 163.3
[M+H-H2O]+ 269.04816 153.5
[M+HCOO]- 331.04910 173.1
[M+CH3COO]- 345.06475 171.9
[M+Na-2H]- 307.02557 166.7
[M]+ 286.05035 160.5
[M]- 286.05145 160.5
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.