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 179.1
[M+Na]+ 343.19922 180.8
[M-H]- 319.20272 183.8
[M+NH4]+ 338.24382 191.6
[M+K]+ 359.17316 179.5
[M+H-H2O]+ 303.20726 169.1
[M+HCOO]- 365.20820 197.8
[M+CH3COO]- 379.22385 211.9
[M+Na-2H]- 341.18467 179.9
[M]+ 320.20945 179.4
[M]- 320.21055 179.4
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.