CID 63515

4(3h)-quinazolinone, 2-(2-(4-chlorophenyl)-2-oxoethyl)-3-(2-methylphenyl)-

Structural Information

Molecular Formula
C23H17ClN2O2
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H17ClN2O2/c1-15-6-2-5-9-20(15)26-22(14-21(27)16-10-12-17(24)13-11-16)25-19-8-4-3-7-18(19)23(26)28/h2-13H,14H2,1H3
InChIKey
VWYNUZPWRZNSLA-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-2-oxoethyl]-3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

388.09787 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.10515 192.6
[M+Na]+ 411.08709 203.0
[M-H]- 387.09059 200.6
[M+NH4]+ 406.13169 202.7
[M+K]+ 427.06103 194.6
[M+H-H2O]+ 371.09513 181.2
[M+HCOO]- 433.09607 206.8
[M+CH3COO]- 447.11172 202.5
[M+Na-2H]- 409.07254 195.8
[M]+ 388.09732 196.5
[M]- 388.09842 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe