CID 51952

N,p-bis(phenylthiomethyl)-n-methylaniline

Structural Information

Molecular Formula
C21H21NS2
SMILES
CN(CSC1=CC=CC=C1)C2=CC=C(C=C2)CSC3=CC=CC=C3
InChI
InChI=1S/C21H21NS2/c1-22(17-24-21-10-6-3-7-11-21)19-14-12-18(13-15-19)16-23-20-8-4-2-5-9-20/h2-15H,16-17H2,1H3
InChIKey
OKBYZFBFFVTBJZ-UHFFFAOYSA-N
Compound name
N-methyl-N,4-bis(phenylsulfanylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.11154 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11882 175.9
[M+Na]+ 374.10076 191.4
[M+NH4]+ 369.14536 186.8
[M+K]+ 390.07470 177.3
[M-H]- 350.10426 185.4
[M+Na-2H]- 372.08621 188.5
[M]+ 351.11099 182.2
[M]- 351.11209 182.2
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.