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]+ 437.12628 204.4
[M+Na]+ 459.10822 213.7
[M-H]- 435.11172 212.4
[M+NH4]+ 454.15282 212.9
[M+K]+ 475.08216 207.4
[M+H-H2O]+ 419.11626 193.0
[M+HCOO]- 481.11720 215.9
[M+CH3COO]- 495.13285 230.6
[M+Na-2H]- 457.09367 204.0
[M]+ 436.11845 209.5
[M]- 436.11955 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.