CID 1887640

N-(2-bromo-4-methylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C24H20BrN3O3S
SMILES
CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC)Br
InChI
InChI=1S/C24H20BrN3O3S/c1-15-7-12-21(19(25)13-15)26-22(29)14-32-24-27-20-6-4-3-5-18(20)23(30)28(24)16-8-10-17(31-2)11-9-16/h3-13H,14H2,1-2H3,(H,26,29)
InChIKey
ZZRHQRMIUBLULA-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-methylphenyl)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.0409 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.04818 197.1
[M+Na]+ 532.03012 203.9
[M+NH4]+ 527.07472 200.7
[M+K]+ 548.00406 200.2
[M-H]- 508.03362 201.6
[M+Na-2H]- 530.01557 203.4
[M]+ 509.04035 198.8
[M]- 509.04145 198.8
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.