CID 38168

38920-72-8

Structural Information

Molecular Formula
C24H48N2S2
SMILES
CCC(CNCCSSCCNCC(CC)C1CCCCC1)C2CCCCC2
InChI
InChI=1S/C24H48N2S2/c1-3-21(23-11-7-5-8-12-23)19-25-15-17-27-28-18-16-26-20-22(4-2)24-13-9-6-10-14-24/h21-26H,3-20H2,1-2H3
InChIKey
VNFOGEGSPMPXCY-UHFFFAOYSA-N
Compound name
2-cyclohexyl-N-[2-[2-(2-cyclohexylbutylamino)ethyldisulfanyl]ethyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.3259 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.33318 201.6
[M+Na]+ 451.31512 195.6
[M-H]- 427.31862 202.3
[M+NH4]+ 446.35972 210.4
[M+K]+ 467.28906 189.4
[M+H-H2O]+ 411.32316 192.4
[M+HCOO]- 473.32410 203.2
[M+CH3COO]- 487.33975 232.7
[M+Na-2H]- 449.30057 194.9
[M]+ 428.32535 196.4
[M]- 428.32645 196.4
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.