CID 41287

(2-hydroxyethyl)trimethylammonium bromide benzilate

Structural Information

Molecular Formula
C19H24NO3
SMILES
C[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C19H24NO3/c1-20(2,3)14-15-23-18(21)19(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,22H,14-15H2,1-3H3/q+1
InChIKey
IHRPDXFOMLCPIK-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

208
References

183
Patents

314.17563 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18291 173.4
[M+Na]+ 337.16485 186.9
[M+NH4]+ 332.20945 181.6
[M+K]+ 353.13879 181.6
[M-H]- 313.16835 178.4
[M+Na-2H]- 335.15030 182.9
[M]+ 314.17508 177.2
[M]- 314.17618 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe