CID 24833117

Fc 612/a

Structural Information

Molecular Formula
C27H32NO2
SMILES
CC[N+](C)(CC)C(COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C27H32NO2/c1-4-28(3,5-2)25(22-15-9-6-10-16-22)21-30-27(29)26(23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20,25-26H,4-5,21H2,1-3H3/q+1
InChIKey
OBQHKTBCGXJCGO-UHFFFAOYSA-N
Compound name
[2-(2,2-diphenylacetyl)oxy-1-phenylethyl]-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.24332 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.250596 204.4
[M+Na]+ 425.232538 205.1
[M-H]- 401.236044 213.5
[M+NH4]+ 420.277143 213.9
[M+K]+ 441.206478 195.4
[M+H-H2O]+ 385.240580 196.3
[M+HCOO]- 447.241521 223.2
[M+CH3COO]- 461.257171 222.4
[M+Na-2H]- 423.217986 207.9
[M]+ 402.24277142 204.0
[M]- 402.24386858 204.0
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.