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 202.5
[M+Na]+ 532.03012 213.5
[M-H]- 508.03362 212.8
[M+NH4]+ 527.07472 211.7
[M+K]+ 548.00406 199.7
[M+H-H2O]+ 492.03816 198.5
[M+HCOO]- 554.03910 215.5
[M+CH3COO]- 568.05475 212.9
[M+Na-2H]- 530.01557 206.0
[M]+ 509.04035 225.9
[M]- 509.04145 225.9
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.