CID 199260

3907-60-6

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]+ 305.11406 163.6
[M+Na]+ 327.09600 173.9
[M+NH4]+ 322.14060 172.8
[M+K]+ 343.06994 163.3
[M-H]- 303.09950 169.5
[M+Na-2H]- 325.08145 171.5
[M]+ 304.10623 167.6
[M]- 304.10733 167.6
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.