CID 58729

101674-29-7

Structural Information

Molecular Formula
C25H28NO3
SMILES
C[N+](C)(C)C(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C25H28NO3/c1-26(2,3)23(20-13-7-4-8-14-20)19-29-24(27)25(28,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23,28H,19H2,1-3H3/q+1
InChIKey
SYYYNDLSZUIOSO-UHFFFAOYSA-N
Compound name
[2-(2-hydroxy-2,2-diphenylacetyl)oxy-1-phenylethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.2069 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.21418 196.3
[M+Na]+ 413.19612 198.1
[M-H]- 389.19962 204.8
[M+NH4]+ 408.24072 205.8
[M+K]+ 429.17006 188.8
[M+H-H2O]+ 373.20416 189.3
[M+HCOO]- 435.20510 214.0
[M+CH3COO]- 449.22075 215.7
[M+Na-2H]- 411.18157 203.2
[M]+ 390.20635 195.0
[M]- 390.20745 195.0
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.