CID 11742316

4,4'-methylenebis(n-butoxycarbonylcyclohexanamine)

Structural Information

Molecular Formula
C23H42N2O4
SMILES
CCCCOC(=O)NC1CCC(CC1)CC2CCC(CC2)NC(=O)OCCCC
InChI
InChI=1S/C23H42N2O4/c1-3-5-15-28-22(26)24-20-11-7-18(8-12-20)17-19-9-13-21(14-10-19)25-23(27)29-16-6-4-2/h18-21H,3-17H2,1-2H3,(H,24,26)(H,25,27)
InChIKey
XPMSIFQMNOZZLL-UHFFFAOYSA-N
Compound name
butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

410.31445 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.32173 205.1
[M+Na]+ 433.30367 201.6
[M-H]- 409.30717 207.9
[M+NH4]+ 428.34827 214.2
[M+K]+ 449.27761 199.3
[M+H-H2O]+ 393.31171 195.6
[M+HCOO]- 455.31265 218.9
[M+CH3COO]- 469.32830 229.5
[M+Na-2H]- 431.28912 199.9
[M]+ 410.31390 200.8
[M]- 410.31500 200.8
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