CID 3054201

70939-61-6

Structural Information

Molecular Formula
C22H35N2O3
SMILES
CCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CC=C
InChI
InChI=1S/C22H34N2O3/c1-3-5-11-18-26-21-13-8-7-12-20(21)23-22(25)27-19-17-24(14-4-2)15-9-6-10-16-24/h4,7-8,12-13H,2-3,5-6,9-11,14-19H2,1H3/p+1
InChIKey
CFODEXODZMFWKL-UHFFFAOYSA-O
Compound name
2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.26477 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.27205 194.6
[M+Na]+ 398.25399 205.6
[M+NH4]+ 393.29859 202.7
[M+K]+ 414.22793 196.2
[M-H]- 374.25749 198.9
[M+Na-2H]- 396.23944 201.3
[M]+ 375.26422 197.6
[M]- 375.26532 197.6
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.