CID 380903

Nsc666685

Structural Information

Molecular Formula
C22H40S4
SMILES
C1CCCCC2(CCCCCCCCC3(CCC1)SCCS3)SCCS2
InChI
InChI=1S/C22H40S4/c1-2-6-10-14-22(25-19-20-26-22)16-12-8-4-3-7-11-15-21(13-9-5-1)23-17-18-24-21/h1-20H2
InChIKey
UYTONAUUHUMPKA-UHFFFAOYSA-N
Compound name
1,4,15,18-tetrathiadispiro[4.8.414.85]hexacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2013 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.20858 199.1
[M+Na]+ 455.19052 200.5
[M-H]- 431.19402 200.4
[M+NH4]+ 450.23512 213.6
[M+K]+ 471.16446 196.5
[M+H-H2O]+ 415.19856 199.7
[M+HCOO]- 477.19950 190.8
[M+CH3COO]- 491.21515 202.5
[M+Na-2H]- 453.17597 194.3
[M]+ 432.20075 183.5
[M]- 432.20185 183.5
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.