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]+ 403.25060 204.4
[M+Na]+ 425.23254 205.1
[M-H]- 401.23604 213.5
[M+NH4]+ 420.27714 213.9
[M+K]+ 441.20648 195.4
[M+H-H2O]+ 385.24058 196.3
[M+HCOO]- 447.24152 223.2
[M+CH3COO]- 461.25717 222.4
[M+Na-2H]- 423.21799 207.9
[M]+ 402.24277 204.0
[M]- 402.24387 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.