CID 17034

Diethyl(2-hydroxyethyl)methylammonium iodide 2,2-diphenylpropionate

Structural Information

Molecular Formula
C22H30NO2
SMILES
CC[N+](C)(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H30NO2/c1-5-23(4,6-2)17-18-25-21(24)22(3,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,5-6,17-18H2,1-4H3/q+1
InChIKey
DASOQTXTWDVMHA-UHFFFAOYSA-N
Compound name
2-(2,2-diphenylpropanoyloxy)ethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.22766 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.23494 185.7
[M+Na]+ 363.21688 188.9
[M-H]- 339.22038 192.8
[M+NH4]+ 358.26148 199.1
[M+K]+ 379.19082 180.3
[M+H-H2O]+ 323.22492 180.0
[M+HCOO]- 385.22586 205.8
[M+CH3COO]- 399.24151 210.7
[M+Na-2H]- 361.20233 193.2
[M]+ 340.22711 187.4
[M]- 340.22821 187.4
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.