CID 1543096

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

Structural Information

Molecular Formula
C23H18BrN3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br
InChI
InChI=1S/C23H18BrN3O2S/c1-15-6-12-18(13-7-15)27-22(29)19-4-2-3-5-20(19)26-23(27)30-14-21(28)25-17-10-8-16(24)9-11-17/h2-13H,14H2,1H3,(H,25,28)
InChIKey
ADTMBSUQPGEUOJ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.0303 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.03758 188.8
[M+Na]+ 502.01952 196.0
[M+NH4]+ 497.06412 193.1
[M+K]+ 517.99346 191.9
[M-H]- 478.02302 193.8
[M+Na-2H]- 500.00497 196.0
[M]+ 479.02975 190.7
[M]- 479.03085 190.7
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.