CID 3061842

79820-08-9

Structural Information

Molecular Formula
C23H30NO
SMILES
C[N+]1(CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)CC=C
InChI
InChI=1S/C23H30NO/c1-3-16-24(2)17-10-15-22(24)23(25,18-20-11-6-4-7-12-20)19-21-13-8-5-9-14-21/h3-9,11-14,22,25H,1,10,15-19H2,2H3/q+1
InChIKey
FCWDQWJASHQNEV-UHFFFAOYSA-N
Compound name
2-(1-methyl-1-prop-2-enylpyrrolidin-1-ium-2-yl)-1,3-diphenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23273 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.24001 187.0
[M+Na]+ 359.22195 190.7
[M-H]- 335.22545 193.1
[M+NH4]+ 354.26655 201.6
[M+K]+ 375.19589 178.5
[M+H-H2O]+ 319.22999 180.9
[M+HCOO]- 381.23093 203.1
[M+CH3COO]- 395.24658 200.9
[M+Na-2H]- 357.20740 190.9
[M]+ 336.23218 182.3
[M]- 336.23328 182.3
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.