CID 210310

21220-81-5

Structural Information

Molecular Formula
C24H35NO3S4
SMILES
C1=CC=C(C=C1)SCCCCCN(CCCCCSC2=CC=CC=C2)CCSS(=O)(=O)O
InChI
InChI=1S/C24H35NO3S4/c26-32(27,28)31-22-19-25(17-9-3-11-20-29-23-13-5-1-6-14-23)18-10-4-12-21-30-24-15-7-2-8-16-24/h1-2,5-8,13-16H,3-4,9-12,17-22H2,(H,26,27,28)
InChIKey
UUYUZWVMRJGRFQ-UHFFFAOYSA-N
Compound name
5-[5-phenylsulfanylpentyl(2-sulfosulfanylethyl)amino]pentylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.14996 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.15724 217.0
[M+Na]+ 536.13918 218.0
[M-H]- 512.14268 217.6
[M+NH4]+ 531.18378 222.3
[M+K]+ 552.11312 206.0
[M+H-H2O]+ 496.14722 207.5
[M+HCOO]- 558.14816 215.3
[M+CH3COO]- 572.16381 237.4
[M+Na-2H]- 534.12463 217.4
[M]+ 513.14941 219.3
[M]- 513.15051 219.3
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.