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]+ 335.23293 182.5
[M+Na]+ 357.21487 181.8
[M-H]- 333.21837 185.6
[M+NH4]+ 352.25947 193.9
[M+K]+ 373.18881 179.3
[M+H-H2O]+ 317.22291 173.8
[M+HCOO]- 379.22385 199.2
[M+CH3COO]- 393.23950 214.2
[M+Na-2H]- 355.20032 181.1
[M]+ 334.22510 177.7
[M]- 334.22620 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.