CID 57304

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

Structural Information

Molecular Formula
C16H24N2O4
SMILES
COC1=CC=CC=C1NC(=O)OCC(CN2CCCCC2)O
InChI
InChI=1S/C16H24N2O4/c1-21-15-8-4-3-7-14(15)17-16(20)22-12-13(19)11-18-9-5-2-6-10-18/h3-4,7-8,13,19H,2,5-6,9-12H2,1H3,(H,17,20)
InChIKey
AQRGWYMHXSXNIR-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-piperidin-1-ylpropyl) N-(2-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1736 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.180876 172.8
[M+Na]+ 331.162818 174.4
[M-H]- 307.166324 175.1
[M+NH4]+ 326.207423 184.3
[M+K]+ 347.136758 172.5
[M+H-H2O]+ 291.170860 163.7
[M+HCOO]- 353.171801 189.4
[M+CH3COO]- 367.187451 203.2
[M+Na-2H]- 329.148266 173.9
[M]+ 308.17305142 170.2
[M]- 308.17414858 170.2
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.