CID 393619

Nsc695828

Structural Information

Molecular Formula
C21H36N2O2S2
SMILES
C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CCCCC3CCSS3
InChI
InChI=1S/C21H36N2O2S2/c24-20(14-8-7-13-19-15-16-26-27-19)23(18-11-5-2-6-12-18)21(25)22-17-9-3-1-4-10-17/h17-19H,1-16H2,(H,22,25)
InChIKey
LJCLAVARDFFBGN-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-(cyclohexylcarbamoyl)-5-(dithiolan-3-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.22183 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.22911 198.7
[M+Na]+ 435.21105 194.5
[M-H]- 411.21455 204.8
[M+NH4]+ 430.25565 210.2
[M+K]+ 451.18499 190.8
[M+H-H2O]+ 395.21909 190.6
[M+HCOO]- 457.22003 202.4
[M+CH3COO]- 471.23568 224.5
[M+Na-2H]- 433.19650 191.5
[M]+ 412.22128 191.1
[M]- 412.22238 191.1
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.