CID 202097

7477-35-2

Structural Information

Molecular Formula
C22H34NO3
SMILES
CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCC=CC2)O
InChI
InChI=1S/C22H34NO3/c1-4-23(3,5-2)16-17-26-22(25)20(18-12-8-6-9-13-18)21(24)19-14-10-7-11-15-19/h6-10,12-13,19-21,24H,4-5,11,14-17H2,1-3H3/q+1
InChIKey
QZJLOWJCRLBIFV-UHFFFAOYSA-N
Compound name
2-(3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoyl)oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.25388 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.26116 191.2
[M+Na]+ 383.24310 190.7
[M-H]- 359.24660 195.7
[M+NH4]+ 378.28770 202.4
[M+K]+ 399.21704 182.7
[M+H-H2O]+ 343.25114 185.4
[M+HCOO]- 405.25208 206.6
[M+CH3COO]- 419.26773 211.8
[M+Na-2H]- 381.22855 193.0
[M]+ 360.25333 188.8
[M]- 360.25443 188.8
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.