CID 24842918

Fc 620/a

Structural Information

Molecular Formula
C28H32NO2
SMILES
C[N+]1(CCCCC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H32NO2/c1-29(20-12-5-13-21-29)26(23-14-6-2-7-15-23)22-31-28(30)27(24-16-8-3-9-17-24)25-18-10-4-11-19-25/h2-4,6-11,14-19,26-27H,5,12-13,20-22H2,1H3/q+1
InChIKey
FHVTUNVNRXQCAT-UHFFFAOYSA-N
Compound name
[2-(1-methylpiperidin-1-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.24332 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.25060 209.2
[M+Na]+ 437.23254 208.5
[M-H]- 413.23604 217.7
[M+NH4]+ 432.27714 217.3
[M+K]+ 453.20648 197.4
[M+H-H2O]+ 397.24058 199.0
[M+HCOO]- 459.24152 222.2
[M+CH3COO]- 473.25717 217.0
[M+Na-2H]- 435.21799 210.4
[M]+ 414.24277 202.1
[M]- 414.24387 202.1
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.