CID 40284

N-methyl-m-propoxycarbanilic acid 2-piperidinoethyl ester monohydrochloride

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCOC1=CC=CC(=C1)N(C)C(=O)OCCN2CCCCC2
InChI
InChI=1S/C18H28N2O3/c1-3-13-22-17-9-7-8-16(15-17)19(2)18(21)23-14-12-20-10-5-4-6-11-20/h7-9,15H,3-6,10-14H2,1-2H3
InChIKey
QCULPNNMQFWKIA-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-methyl-N-(3-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 178.9
[M+Na]+ 343.19922 188.6
[M+NH4]+ 338.24382 185.4
[M+K]+ 359.17316 182.2
[M-H]- 319.20272 182.0
[M+Na-2H]- 341.18467 184.3
[M]+ 320.20945 180.9
[M]- 320.21055 180.9
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.

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No patent data available for this compound.