CID 3061844

79820-09-0

Structural Information

Molecular Formula
C24H34NO
SMILES
CCCC[N+]1(CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)C
InChI
InChI=1S/C24H34NO/c1-3-4-17-25(2)18-11-16-23(25)24(26,19-21-12-7-5-8-13-21)20-22-14-9-6-10-15-22/h5-10,12-15,23,26H,3-4,11,16-20H2,1-2H3/q+1
InChIKey
ILUSSNYFLKMEGP-UHFFFAOYSA-N
Compound name
2-(1-butyl-1-methylpyrrolidin-1-ium-2-yl)-1,3-diphenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.26404 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.27132 192.4
[M+Na]+ 375.25326 195.2
[M-H]- 351.25676 198.2
[M+NH4]+ 370.29786 206.3
[M+K]+ 391.22720 183.5
[M+H-H2O]+ 335.26130 185.9
[M+HCOO]- 397.26224 207.8
[M+CH3COO]- 411.27789 204.8
[M+Na-2H]- 373.23871 195.7
[M]+ 352.26349 188.7
[M]- 352.26459 188.7
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.