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
2
Annotation Hits

0
References

72
Patents

410.31445 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.321726 205.1
[M+Na]+ 433.303668 201.6
[M-H]- 409.307174 207.9
[M+NH4]+ 428.348273 214.2
[M+K]+ 449.277608 199.3
[M+H-H2O]+ 393.311710 195.6
[M+HCOO]- 455.312651 218.9
[M+CH3COO]- 469.328301 229.5
[M+Na-2H]- 431.289116 199.9
[M]+ 410.31390142 200.8
[M]- 410.31499858 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