CID 3604206

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

Structural Information

Molecular Formula
C18H22N2OS
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2N
InChI
InChI=1S/C18H22N2OS/c1-2-3-6-14-9-11-15(12-10-14)20-18(21)13-22-17-8-5-4-7-16(17)19/h4-5,7-12H,2-3,6,13,19H2,1H3,(H,20,21)
InChIKey
QHEWLXQQMSJBCB-UHFFFAOYSA-N
Compound name
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1453 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15258 174.8
[M+Na]+ 337.13452 186.4
[M+NH4]+ 332.17912 182.9
[M+K]+ 353.10846 176.4
[M-H]- 313.13802 180.4
[M+Na-2H]- 335.11997 182.5
[M]+ 314.14475 178.5
[M]- 314.14585 178.5
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.