CID 63192

136036-03-8

Structural Information

Molecular Formula
C25H24N2O5
SMILES
CC(=O)N1C(N(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC)C4=C(C=C(C=C4)OC)OC
InChI
InChI=1S/C25H24N2O5/c1-16(28)26-22-8-6-5-7-20(22)25(29)27(17-9-11-18(30-2)12-10-17)24(26)21-14-13-19(31-3)15-23(21)32-4/h5-15,24H,1-4H3
InChIKey
CEHQTLXLCBRERN-UHFFFAOYSA-N
Compound name
1-acetyl-2-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.16852 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.17580 206.3
[M+Na]+ 455.15774 214.0
[M-H]- 431.16124 214.2
[M+NH4]+ 450.20234 213.7
[M+K]+ 471.13168 209.5
[M+H-H2O]+ 415.16578 193.9
[M+HCOO]- 477.16672 221.9
[M+CH3COO]- 491.18237 232.3
[M+Na-2H]- 453.14319 205.9
[M]+ 432.16797 210.5
[M]- 432.16907 210.5
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.