CID 63950

4(3h)-quinazolinone, 3-(p-chlorophenyl)-2-((veratrylamino)methyl)-

Structural Information

Molecular Formula
C24H22ClN3O3
SMILES
COC1=C(C=C(C=C1)CNCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C24H22ClN3O3/c1-30-21-12-7-16(13-22(21)31-2)14-26-15-23-27-20-6-4-3-5-19(20)24(29)28(23)18-10-8-17(25)9-11-18/h3-13,26H,14-15H2,1-2H3
InChIKey
KNQJIZGSGCGFTE-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.13498 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.14226 206.1
[M+Na]+ 458.12420 224.8
[M+NH4]+ 453.16880 213.6
[M+K]+ 474.09814 214.1
[M-H]- 434.12770 213.3
[M+Na-2H]- 456.10965 216.3
[M]+ 435.13443 211.4
[M]- 435.13553 211.4
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.