CID 119774

Brn 3015564

Structural Information

Molecular Formula
C23H25NO3S2
SMILES
C1=CC=C(C=C1)C(CCNCCSS(=O)(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H25NO3S2/c25-29(26,27)28-19-18-24-17-16-23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,24H,16-19H2,(H,25,26,27)
InChIKey
LUSHIYVPITXVAK-UHFFFAOYSA-N
Compound name
[1,1-diphenyl-3-(2-sulfosulfanylethylamino)propyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.1276 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.13488 197.6
[M+Na]+ 450.11682 209.3
[M+NH4]+ 445.16142 204.7
[M+K]+ 466.09076 198.0
[M-H]- 426.12032 202.8
[M+Na-2H]- 448.10227 207.5
[M]+ 427.12705 201.8
[M]- 427.12815 201.8
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.