CID 113601

Benzamide, 2-((2-((4-methylphenyl)thio)ethyl)amino)-

Structural Information

Molecular Formula
C16H18N2OS
SMILES
CC1=CC=C(C=C1)SCCNC2=CC=CC=C2C(=O)N
InChI
InChI=1S/C16H18N2OS/c1-12-6-8-13(9-7-12)20-11-10-18-15-5-3-2-4-14(15)16(17)19/h2-9,18H,10-11H2,1H3,(H2,17,19)
InChIKey
SKALQPVVCXEHKD-UHFFFAOYSA-N
Compound name
2-[2-(4-methylphenyl)sulfanylethylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.11398 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12126 165.4
[M+Na]+ 309.10320 171.4
[M-H]- 285.10670 171.4
[M+NH4]+ 304.14780 180.7
[M+K]+ 325.07714 165.8
[M+H-H2O]+ 269.11124 157.3
[M+HCOO]- 331.11218 184.6
[M+CH3COO]- 345.12783 205.3
[M+Na-2H]- 307.08865 167.0
[M]+ 286.11343 165.8
[M]- 286.11453 165.8
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.