CID 3009836

Schembl19149898

Structural Information

Molecular Formula

C₁₈H₃₆N₂S₂

SMILES

CC(C)N(C1CCCCC1)SSN(C2CCCCC2)C(C)C

InChI

InChI=1S/C18H36N2S2/c1-15(2)19(17-11-7-5-8-12-17)21-22-20(16(3)4)18-13-9-6-10-14-18/h15-18H,5-14H2,1-4H3

InChIKey

KIYNAOOIKQWOKP-UHFFFAOYSA-N

Compound name

N-[[cyclohexyl(propan-2-yl)amino]disulfanyl]-N-propan-2-ylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 344.232 Da
Monoisotopic Mass: 6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	345.23928	181.6
[M+Na]+	367.22122	178.4
[M-H]-	343.22472	186.6
[M+NH4]+	362.26582	195.1
[M+K]+	383.19516	176.4
[M+H-H2O]+	327.22926	173.0
[M+HCOO]-	389.23020	185.8
[M+CH3COO]-	403.24585	222.1
[M+Na-2H]-	365.20667	175.8
[M]+	344.23145	176.9
[M]-	344.23255	176.9

Literature stripe

literature stripe

Patent stripe

patents stripe