CID 3009839

Schembl10815588

Structural Information

Molecular Formula
C24H44N2S2
SMILES
C1CCC(CC1)N(C2CCCCC2)SSN(C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C24H44N2S2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-24H,1-20H2
InChIKey
PRNWVFVNIRBOED-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-[(dicyclohexylamino)disulfanyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

424.2946 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.30188 195.7
[M+Na]+ 447.28382 187.7
[M-H]- 423.28732 203.4
[M+NH4]+ 442.32842 204.5
[M+K]+ 463.25776 184.0
[M+H-H2O]+ 407.29186 185.4
[M+HCOO]- 469.29280 195.4
[M+CH3COO]- 483.30845 198.6
[M+Na-2H]- 445.26927 189.6
[M]+ 424.29405 181.2
[M]- 424.29515 181.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe