CID 31323

(1,1-diethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate

Structural Information

Molecular Formula
C23H30NO3
SMILES
CC[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC
InChI
InChI=1S/C23H30NO3/c1-3-24(4-2)17-11-16-21(18-24)27-22(25)23(26,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,21,26H,3-4,11,16-18H2,1-2H3/q+1
InChIKey
BRCUEPRXYOOAON-UHFFFAOYSA-N
Compound name
(1,1-diethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.22256 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.229836 193.6
[M+Na]+ 391.211778 195.7
[M-H]- 367.215284 199.1
[M+NH4]+ 386.256383 204.5
[M+K]+ 407.185718 185.5
[M+H-H2O]+ 351.219820 186.5
[M+HCOO]- 413.220761 206.6
[M+CH3COO]- 427.236411 205.5
[M+Na-2H]- 389.197226 198.2
[M]+ 368.22201142 188.7
[M]- 368.22310858 188.7
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.