CID 41623

(3-(nonyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride

Structural Information

Molecular Formula
C23H38N2O3
SMILES
CCCCCCCCCOC1=CC=CC(=C1)NC(=O)OCCN2CCCCC2
InChI
InChI=1S/C23H38N2O3/c1-2-3-4-5-6-7-11-18-27-22-14-12-13-21(20-22)24-23(26)28-19-17-25-15-9-8-10-16-25/h12-14,20H,2-11,15-19H2,1H3,(H,24,26)
InChIKey
JHLSFAXNVYZWFR-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(3-nonoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.28824 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.29552 200.6
[M+Na]+ 413.27746 199.9
[M-H]- 389.28096 202.7
[M+NH4]+ 408.32206 209.5
[M+K]+ 429.25140 196.0
[M+H-H2O]+ 373.28550 189.7
[M+HCOO]- 435.28644 217.0
[M+CH3COO]- 449.30209 223.4
[M+Na-2H]- 411.26291 199.5
[M]+ 390.28769 201.3
[M]- 390.28879 201.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.