CID 3330652

2-[(4-aminophenyl)sulfanyl]-n-(4-bromophenyl)acetamide

Structural Information

Molecular Formula
C14H13BrN2OS
SMILES
C1=CC(=CC=C1N)SCC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H13BrN2OS/c15-10-1-5-12(6-2-10)17-14(18)9-19-13-7-3-11(16)4-8-13/h1-8H,9,16H2,(H,17,18)
InChIKey
PACVUCFBJXDJNI-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)sulfanyl-N-(4-bromophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.9932 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.00048 159.5
[M+Na]+ 358.98242 169.3
[M-H]- 334.98592 168.0
[M+NH4]+ 354.02702 176.6
[M+K]+ 374.95636 155.4
[M+H-H2O]+ 318.99046 157.5
[M+HCOO]- 380.99140 177.0
[M+CH3COO]- 395.00705 207.3
[M+Na-2H]- 356.96787 163.8
[M]+ 335.99265 177.7
[M]- 335.99375 177.7
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.