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]+ 287.058176 161.5
[M+Na]+ 309.040118 170.5
[M-H]- 285.043624 163.7
[M+NH4]+ 304.084723 174.8
[M+K]+ 325.014058 163.3
[M+H-H2O]+ 269.048160 153.5
[M+HCOO]- 331.049101 173.1
[M+CH3COO]- 345.064751 171.9
[M+Na-2H]- 307.025566 166.7
[M]+ 286.05035142 160.5
[M]- 286.05144858 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.