CID 1887164

2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-n-(3,5-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C24H20BrN3O2S
SMILES
CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br)C
InChI
InChI=1S/C24H20BrN3O2S/c1-15-11-16(2)13-18(12-15)26-22(29)14-31-24-27-21-6-4-3-5-20(21)23(30)28(24)19-9-7-17(25)8-10-19/h3-13H,14H2,1-2H3,(H,26,29)
InChIKey
YWUUJJJORJKWFD-UHFFFAOYSA-N
Compound name
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.04596 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.05324 193.7
[M+Na]+ 516.03518 201.0
[M+NH4]+ 511.07978 197.8
[M+K]+ 532.00912 196.8
[M-H]- 492.03868 198.6
[M+Na-2H]- 514.02063 200.4
[M]+ 493.04541 195.6
[M]- 493.04651 195.6
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.