CID 4841

23182-46-9

Structural Information

Molecular Formula
C23H30NO3
SMILES
CC[N+]1(CCCCC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C23H30NO3/c1-2-24(16-10-5-11-17-24)18-19-27-22(25)23(26,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,26H,2,5,10-11,16-19H2,1H3/q+1
InChIKey
OHEDKBMQRCAABJ-UHFFFAOYSA-N
Compound name
2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

21
Patents

368.22256 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.229836 194.1
[M+Na]+ 391.211778 195.2
[M-H]- 367.215284 199.2
[M+NH4]+ 386.256383 204.7
[M+K]+ 407.185718 185.0
[M+H-H2O]+ 351.219820 186.7
[M+HCOO]- 413.220761 207.1
[M+CH3COO]- 427.236411 204.4
[M+Na-2H]- 389.197226 199.3
[M]+ 368.22201142 188.8
[M]- 368.22310858 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

literature stripe

Patent stripe

No patent data available for this compound.