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]+ 341.19853 184.7
[M+Na]+ 363.18047 188.6
[M-H]- 339.18397 191.3
[M+NH4]+ 358.22507 198.9
[M+K]+ 379.15441 178.8
[M+H-H2O]+ 323.18851 179.0
[M+HCOO]- 385.18945 200.8
[M+CH3COO]- 399.20510 199.0
[M+Na-2H]- 361.16592 189.0
[M]+ 340.19070 181.4
[M]- 340.19180 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.