CID 48181

66859-42-5

Structural Information

Molecular Formula
C27H30NO3
SMILES
C1CC[N+](C(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)(CC5=CC=CC=C5)O
InChI
InChI=1S/C27H30NO3/c29-28(20-22-12-4-1-5-13-22)19-11-10-18-25(28)26-21-30-27(31-26,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,25-26,29H,10-11,18-21H2/q+1
InChIKey
RRDYLEAYYHVNEM-UHFFFAOYSA-N
Compound name
1-benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.22256 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.22984 205.3
[M+Na]+ 439.21178 207.9
[M-H]- 415.21528 218.0
[M+NH4]+ 434.25638 214.3
[M+K]+ 455.18572 198.5
[M+H-H2O]+ 399.21982 195.6
[M+HCOO]- 461.22076 217.7
[M+CH3COO]- 475.23641 212.3
[M+Na-2H]- 437.19723 208.0
[M]+ 416.22201 198.2
[M]- 416.22311 198.2
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.