CID 83333

Benzenamine, 3-(methylthio)-n-phenyl-

Structural Information

Molecular Formula
C13H13NS
SMILES
CSC1=CC=CC(=C1)NC2=CC=CC=C2
InChI
InChI=1S/C13H13NS/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3
InChIKey
NGTRZJDYCCOXBA-UHFFFAOYSA-N
Compound name
3-methylsulfanyl-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

215.07687 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08415 144.6
[M+Na]+ 238.06609 152.3
[M-H]- 214.06959 151.5
[M+NH4]+ 233.11069 163.5
[M+K]+ 254.04003 147.4
[M+H-H2O]+ 198.07413 137.6
[M+HCOO]- 260.07507 165.2
[M+CH3COO]- 274.09072 157.6
[M+Na-2H]- 236.05154 149.9
[M]+ 215.07632 145.2
[M]- 215.07742 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe