CID 42380

Brn 2879772

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)C(=O)NC2CCCCC2)O
InChI
InChI=1S/C19H30N2O3/c1-14(2)20-12-17(22)13-24-18-10-8-15(9-11-18)19(23)21-16-6-4-3-5-7-16/h8-11,14,16-17,20,22H,3-7,12-13H2,1-2H3,(H,21,23)
InChIKey
UBABTQSJQBOKDV-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.232926 182.5
[M+Na]+ 357.214868 181.8
[M-H]- 333.218374 185.6
[M+NH4]+ 352.259473 193.9
[M+K]+ 373.188808 179.3
[M+H-H2O]+ 317.222910 173.8
[M+HCOO]- 379.223851 199.2
[M+CH3COO]- 393.239501 214.2
[M+Na-2H]- 355.200316 181.1
[M]+ 334.22510142 177.7
[M]- 334.22619858 177.7
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.