CID 41292

Dimethylhexyl(2-hydroxyethyl)ammonium bromide benzilate

Structural Information

Molecular Formula
C24H34NO3
SMILES
CCCCCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C24H34NO3/c1-4-5-6-13-18-25(2,3)19-20-28-23(26)24(27,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,27H,4-6,13,18-20H2,1-3H3/q+1
InChIKey
BGCKJQYNFNPJLD-UHFFFAOYSA-N
Compound name
hexyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.25388 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.26116 198.4
[M+Na]+ 407.24310 200.0
[M-H]- 383.24660 203.5
[M+NH4]+ 402.28770 209.0
[M+K]+ 423.21704 190.6
[M+H-H2O]+ 367.25114 192.2
[M+HCOO]- 429.25208 216.3
[M+CH3COO]- 443.26773 216.0
[M+Na-2H]- 405.22855 204.5
[M]+ 384.25333 200.2
[M]- 384.25443 200.2
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.