CID 544082

N,n'-bis(cyclohexyloxycarbonyl)-1,6-hexanediamine

Structural Information

Molecular Formula
C20H36N2O4
SMILES
C1CCC(CC1)OC(=O)NCCCCCCNC(=O)OC2CCCCC2
InChI
InChI=1S/C20H36N2O4/c23-19(25-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(24)26-18-13-7-4-8-14-18/h17-18H,1-16H2,(H,21,23)(H,22,24)
InChIKey
BQHPPENJOCUCJR-UHFFFAOYSA-N
Compound name
cyclohexyl N-[6-(cyclohexyloxycarbonylamino)hexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

368.26752 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.27480 191.4
[M+Na]+ 391.25674 187.3
[M-H]- 367.26024 194.1
[M+NH4]+ 386.30134 201.6
[M+K]+ 407.23068 185.5
[M+H-H2O]+ 351.26478 181.9
[M+HCOO]- 413.26572 206.3
[M+CH3COO]- 427.28137 218.1
[M+Na-2H]- 389.24219 189.1
[M]+ 368.26697 185.3
[M]- 368.26807 185.3
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

patents stripe