CID 63689

136009-48-8

Structural Information

Molecular Formula
C24H21ClN2O4
SMILES
CC(=O)N1C(N(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)OC)OC
InChI
InChI=1S/C24H21ClN2O4/c1-15(28)26-21-7-5-4-6-19(21)24(29)27(17-10-8-16(25)9-11-17)23(26)20-13-12-18(30-2)14-22(20)31-3/h4-14,23H,1-3H3
InChIKey
RAZQQJXPGRMAJV-UHFFFAOYSA-N
Compound name
1-acetyl-3-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.119 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.126276 204.4
[M+Na]+ 459.108218 213.7
[M-H]- 435.111724 212.4
[M+NH4]+ 454.152823 212.9
[M+K]+ 475.082158 207.4
[M+H-H2O]+ 419.116260 193.0
[M+HCOO]- 481.117201 215.9
[M+CH3COO]- 495.132851 230.6
[M+Na-2H]- 457.093666 204.0
[M]+ 436.11845142 209.5
[M]- 436.11954858 209.5
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.