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]+ 375.21928 195.0
[M+Na]+ 397.20122 196.7
[M-H]- 373.20472 204.6
[M+NH4]+ 392.24582 205.7
[M+K]+ 413.17516 187.4
[M+H-H2O]+ 357.20926 187.4
[M+HCOO]- 419.21020 214.5
[M+CH3COO]- 433.22585 216.6
[M+Na-2H]- 395.18667 199.6
[M]+ 374.21145 194.0
[M]- 374.21255 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.