CID 197886

10027-64-2

Structural Information

Molecular Formula
C24H48N2O2S2
SMILES
C1CCC(CC1)CCCCNCCSS(=O)(=O)CCNCCCCC2CCCCC2
InChI
InChI=1S/C24H48N2O2S2/c27-30(28,22-20-26-18-10-8-16-24-13-5-2-6-14-24)29-21-19-25-17-9-7-15-23-11-3-1-4-12-23/h23-26H,1-22H2
InChIKey
WVGFVPNHXNYDDU-UHFFFAOYSA-N
Compound name
4-cyclohexyl-N-[2-[2-(4-cyclohexylbutylamino)ethylsulfonylsulfanyl]ethyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.31573 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.32301 207.8
[M+Na]+ 483.30495 202.9
[M-H]- 459.30845 208.4
[M+NH4]+ 478.34955 215.2
[M+K]+ 499.27889 195.9
[M+H-H2O]+ 443.31299 198.5
[M+HCOO]- 505.31393 211.0
[M+CH3COO]- 519.32958 234.3
[M+Na-2H]- 481.29040 204.6
[M]+ 460.31518 204.6
[M]- 460.31628 204.6
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.