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

Adduct m/z Predicted CCS (Ų)
[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
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.