CID 5492848

Benzeneethanamine, beta,beta'-dithiobis(n,alpha-dimethyl-, dihydrochloride, (r-(r*,s*))-

Structural Information

Molecular Formula
C20H28N2S2
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)SS[C@H](C2=CC=CC=C2)[C@H](C)NC)NC
InChI
InChI=1S/C20H28N2S2/c1-15(21-3)19(17-11-7-5-8-12-17)23-24-20(16(2)22-4)18-13-9-6-10-14-18/h5-16,19-22H,1-4H3/t15-,16-,19-,20-/m0/s1
InChIKey
YVBDCJIORSABCM-FVCZOJIISA-N
Compound name
(1R,2S)-N-methyl-1-[[(1R,2S)-2-(methylamino)-1-phenylpropyl]disulfanyl]-1-phenylpropan-2-amine
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 180.4
[M+Na]+ 383.15862 189.6
[M+NH4]+ 378.20322 188.9
[M+K]+ 399.13256 179.3
[M-H]- 359.16212 186.0
[M+Na-2H]- 381.14407 187.7
[M]+ 360.16885 184.2
[M]- 360.16995 184.2
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.