CID 57432

Carbanilic acid, o-ethoxy-, 2-hydroxy-3-piperidinopropyl ester, hydrochloride

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCOC1=CC=CC=C1NC(=O)OCC(CN2CCCCC2)O
InChI
InChI=1S/C17H26N2O4/c1-2-22-16-9-5-4-8-15(16)18-17(21)23-13-14(20)12-19-10-6-3-7-11-19/h4-5,8-9,14,20H,2-3,6-7,10-13H2,1H3,(H,18,21)
InChIKey
OSMOLAQYJSADLJ-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-piperidin-1-ylpropyl) N-(2-ethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.18927 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.196546 177.2
[M+Na]+ 345.178488 178.4
[M-H]- 321.181994 179.3
[M+NH4]+ 340.223093 188.1
[M+K]+ 361.152428 176.2
[M+H-H2O]+ 305.186530 167.9
[M+HCOO]- 367.187471 193.4
[M+CH3COO]- 381.203121 206.2
[M+Na-2H]- 343.163936 177.8
[M]+ 322.18872142 174.9
[M]- 322.18981858 174.9
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.