CID 5492851

Benzeneethanamine, beta,beta'-dithiobis(n,n,alpha-trimethyl-, (r*,r*)-(+-)-

Structural Information

Molecular Formula
C22H32N2S2
SMILES
C[C@H]([C@@H](C1=CC=CC=C1)SS[C@H](C2=CC=CC=C2)[C@@H](C)N(C)C)N(C)C
InChI
InChI=1S/C22H32N2S2/c1-17(23(3)4)21(19-13-9-7-10-14-19)25-26-22(18(2)24(5)6)20-15-11-8-12-16-20/h7-18,21-22H,1-6H3/t17-,18-,21+,22+/m1/s1
InChIKey
IGCRIAODLXTXFQ-UBBRYJJRSA-N
Compound name
(1R,2R)-1-[[(1R,2R)-2-(dimethylamino)-1-phenylpropyl]disulfanyl]-N,N-dimethyl-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.20068 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20796 193.4
[M+Na]+ 411.18990 194.0
[M-H]- 387.19340 200.3
[M+NH4]+ 406.23450 205.3
[M+K]+ 427.16384 190.5
[M+H-H2O]+ 371.19794 183.9
[M+HCOO]- 433.19888 202.5
[M+CH3COO]- 447.21453 233.0
[M+Na-2H]- 409.17535 189.1
[M]+ 388.20013 197.0
[M]- 388.20123 197.0
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.