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 179.3
[M+Na]+ 374.10076 185.4
[M-H]- 350.10426 189.1
[M+NH4]+ 369.14536 193.0
[M+K]+ 390.07470 178.1
[M+H-H2O]+ 334.10880 170.2
[M+HCOO]- 396.10974 193.7
[M+CH3COO]- 410.12539 189.4
[M+Na-2H]- 372.08621 181.0
[M]+ 351.11099 182.0
[M]- 351.11209 182.0
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.