CID 121342

1099-08-7

Structural Information

Molecular Formula
C20H28N2S2
SMILES
CN(C)CC(C1=CC=CC=C1)SSC(CN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C20H28N2S2/c1-21(2)15-19(17-11-7-5-8-12-17)23-24-20(16-22(3)4)18-13-9-6-10-14-18/h5-14,19-20H,15-16H2,1-4H3
InChIKey
CYSVUGFECWIKPQ-UHFFFAOYSA-N
Compound name
2-[[2-(dimethylamino)-1-phenylethyl]disulfanyl]-N,N-dimethyl-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1694 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17668 180.9
[M+Na]+ 383.15862 191.2
[M+NH4]+ 378.20322 190.1
[M+K]+ 399.13256 180.3
[M-H]- 359.16212 187.6
[M+Na-2H]- 381.14407 189.3
[M]+ 360.16885 185.3
[M]- 360.16995 185.3
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.