CID 40294

N-methyl-m-(pentyloxy)carbanilic acid 2-piperidinoethyl ester monohydrochloride

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCCCCOC1=CC=CC(=C1)N(C)C(=O)OCCN2CCCCC2
InChI
InChI=1S/C20H32N2O3/c1-3-4-8-15-24-19-11-9-10-18(17-19)21(2)20(23)25-16-14-22-12-6-5-7-13-22/h9-11,17H,3-8,12-16H2,1-2H3
InChIKey
BSPOOONPUCIQCP-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-methyl-N-(3-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2413 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24858 188.0
[M+Na]+ 371.23052 188.9
[M-H]- 347.23402 192.4
[M+NH4]+ 366.27512 199.4
[M+K]+ 387.20446 187.1
[M+H-H2O]+ 331.23856 177.7
[M+HCOO]- 393.23950 206.0
[M+CH3COO]- 407.25515 217.8
[M+Na-2H]- 369.21597 187.8
[M]+ 348.24075 189.1
[M]- 348.24185 189.1
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.