CID 3071719

Cyclohexanepropanamide, n,n'-(2-hydroxy-1,3-propanediyl)bis-

Structural Information

Molecular Formula
C21H38N2O3
SMILES
C1CCC(CC1)CCC(=O)NCC(CNC(=O)CCC2CCCCC2)O
InChI
InChI=1S/C21H38N2O3/c24-19(15-22-20(25)13-11-17-7-3-1-4-8-17)16-23-21(26)14-12-18-9-5-2-6-10-18/h17-19,24H,1-16H2,(H,22,25)(H,23,26)
InChIKey
UXKSQHLEPOLTQS-UHFFFAOYSA-N
Compound name
3-cyclohexyl-N-[3-(3-cyclohexylpropanoylamino)-2-hydroxypropyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.28824 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.29552 193.4
[M+Na]+ 389.27746 188.2
[M-H]- 365.28096 194.4
[M+NH4]+ 384.32206 202.8
[M+K]+ 405.25140 185.3
[M+H-H2O]+ 349.28550 184.4
[M+HCOO]- 411.28644 205.1
[M+CH3COO]- 425.30209 218.8
[M+Na-2H]- 387.26291 188.8
[M]+ 366.28769 183.8
[M]- 366.28879 183.8
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

No patent data available for this compound.