CID 1886257

477313-84-1

Structural Information

Molecular Formula
C24H20BrN3O2S
SMILES
CCC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br
InChI
InChI=1S/C24H20BrN3O2S/c1-2-16-7-3-5-9-20(16)26-22(29)15-31-24-27-21-10-6-4-8-19(21)23(30)28(24)18-13-11-17(25)12-14-18/h3-14H,2,15H2,1H3,(H,26,29)
InChIKey
ZFNBKRLBNUCZGQ-UHFFFAOYSA-N
Compound name
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.04596 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.05324 199.4
[M+Na]+ 516.03518 210.1
[M-H]- 492.03868 209.4
[M+NH4]+ 511.07978 209.2
[M+K]+ 532.00912 195.5
[M+H-H2O]+ 476.04322 195.6
[M+HCOO]- 538.04416 212.4
[M+CH3COO]- 552.05981 209.7
[M+Na-2H]- 514.02063 203.4
[M]+ 493.04541 221.2
[M]- 493.04651 221.2
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.