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 185.2
[M+Na]+ 383.15862 187.4
[M-H]- 359.16212 192.4
[M+NH4]+ 378.20322 198.5
[M+K]+ 399.13256 183.2
[M+H-H2O]+ 343.16666 175.7
[M+HCOO]- 405.16760 197.2
[M+CH3COO]- 419.18325 225.6
[M+Na-2H]- 381.14407 183.5
[M]+ 360.16885 189.1
[M]- 360.16995 189.1
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.