CID 203040

Ahr 329

Structural Information

Molecular Formula
C21H26NO3
SMILES
CC[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C
InChI
InChI=1S/C21H26NO3/c1-3-22(2)15-14-19(16-22)25-20(23)21(24,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,24H,3,14-16H2,1-2H3/q+1
InChIKey
AHAHKGDKWMJLHC-UHFFFAOYSA-N
Compound name
(1-ethyl-1-methylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.19125 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.198526 184.7
[M+Na]+ 363.180468 188.6
[M-H]- 339.183974 191.3
[M+NH4]+ 358.225073 198.9
[M+K]+ 379.154408 178.8
[M+H-H2O]+ 323.188510 179.0
[M+HCOO]- 385.189451 200.8
[M+CH3COO]- 399.205101 199.0
[M+Na-2H]- 361.165916 189.0
[M]+ 340.19070142 181.4
[M]- 340.19179858 181.4
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.