CID 48324

66902-90-7

Structural Information

Molecular Formula
C24H34NO3
SMILES
CC[N+](C)(CC)CC(C)(C)COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C24H34NO3/c1-6-25(5,7-2)18-23(3,4)19-28-22(26)24(27,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,27H,6-7,18-19H2,1-5H3/q+1
InChIKey
LVPDVPCUKXFEOO-UHFFFAOYSA-N
Compound name
diethyl-[3-(2-hydroxy-2,2-diphenylacetyl)oxy-2,2-dimethylpropyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.25388 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.26116 195.7
[M+Na]+ 407.24310 197.8
[M-H]- 383.24660 201.3
[M+NH4]+ 402.28770 206.5
[M+K]+ 423.21704 189.2
[M+H-H2O]+ 367.25114 190.4
[M+HCOO]- 429.25208 212.2
[M+CH3COO]- 443.26773 216.4
[M+Na-2H]- 405.22855 203.4
[M]+ 384.25333 197.1
[M]- 384.25443 197.1
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.