CID 199260

Benzeneethanamine, beta,beta'-dithiobis-, dihydrochloride

Structural Information

Molecular Formula
C16H20N2S2
SMILES
C1=CC=C(C=C1)C(CN)SSC(CN)C2=CC=CC=C2
InChI
InChI=1S/C16H20N2S2/c17-11-15(13-7-3-1-4-8-13)19-20-16(12-18)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17-18H2
InChIKey
AOGBOINAAILMEB-UHFFFAOYSA-N
Compound name
2-[(2-amino-1-phenylethyl)disulfanyl]-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.10678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.114056 165.8
[M+Na]+ 327.095998 169.8
[M-H]- 303.099504 169.9
[M+NH4]+ 322.140603 179.8
[M+K]+ 343.069938 162.8
[M+H-H2O]+ 287.104040 157.9
[M+HCOO]- 349.104981 177.3
[M+CH3COO]- 363.120631 206.3
[M+Na-2H]- 325.081446 165.6
[M]+ 304.10623142 164.1
[M]- 304.10732858 164.1
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.