CID 24845518

Ahr 282

Structural Information

Molecular Formula
C26H34NO2
SMILES
C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C26H34NO2/c1-27(19-21-11-5-2-6-12-21)18-17-24(20-27)29-26(28)25(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-3,5-8,11-14,23-25H,4,9-10,15-20H2,1H3/q+1
InChIKey
PMZACINIOMIBPP-UHFFFAOYSA-N
Compound name
(1-benzyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.25894 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.26622 203.4
[M+Na]+ 415.24816 202.9
[M-H]- 391.25166 212.2
[M+NH4]+ 410.29276 214.8
[M+K]+ 431.22210 192.1
[M+H-H2O]+ 375.25620 194.6
[M+HCOO]- 437.25714 216.3
[M+CH3COO]- 451.27279 212.0
[M+Na-2H]- 413.23361 201.4
[M]+ 392.25839 194.8
[M]- 392.25949 194.8
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.