CID 45409

Bis(2-amino-2-phenylethyl)disulfide dihydrochloride

Structural Information

Molecular Formula
C16H20N2S2
SMILES
C1=CC=C(C=C1)C(CSSCC(C2=CC=CC=C2)N)N
InChI
InChI=1S/C16H20N2S2/c17-15(13-7-3-1-4-8-13)11-19-20-12-16(18)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17-18H2
InChIKey
QURYGSYBONHSAC-UHFFFAOYSA-N
Compound name
2-[(2-amino-2-phenylethyl)disulfanyl]-1-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]+ 305.11406 165.8
[M+Na]+ 327.09600 169.8
[M-H]- 303.09950 169.9
[M+NH4]+ 322.14060 179.8
[M+K]+ 343.06994 162.8
[M+H-H2O]+ 287.10404 157.9
[M+HCOO]- 349.10498 177.3
[M+CH3COO]- 363.12063 206.3
[M+Na-2H]- 325.08145 165.6
[M]+ 304.10623 164.1
[M]- 304.10733 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.