CID 58690

Fc 645/a

Structural Information

Molecular Formula
C25H28NO2
SMILES
C[N+](C)(C)C(COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H28NO2/c1-26(2,3)23(20-13-7-4-8-14-20)19-28-25(27)24(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-24H,19H2,1-3H3/q+1
InChIKey
OSQNPASODDNYOA-UHFFFAOYSA-N
Compound name
[2-(2,2-diphenylacetyl)oxy-1-phenylethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.212 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.219276 195.0
[M+Na]+ 397.201218 196.7
[M-H]- 373.204724 204.6
[M+NH4]+ 392.245823 205.7
[M+K]+ 413.175158 187.4
[M+H-H2O]+ 357.209260 187.4
[M+HCOO]- 419.210201 214.5
[M+CH3COO]- 433.225851 216.6
[M+Na-2H]- 395.186666 199.6
[M]+ 374.21145142 194.0
[M]- 374.21254858 194.0
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.