CID 121319

Ys 3646

Structural Information

Molecular Formula
C24H34NO3
SMILES
CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)[N+]3(CCCCC3)C
InChI
InChI=1S/C24H34NO3/c1-19(25(2)15-9-6-10-16-25)18-24(26,20-11-7-5-8-12-20)22-17-21(27-3)13-14-23(22)28-4/h5,7-8,11-14,17,19,26H,6,9-10,15-16,18H2,1-4H3/q+1
InChIKey
HZEYZXGSATXDFE-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)-1-phenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.25388 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.26116 198.2
[M+Na]+ 407.24310 200.4
[M-H]- 383.24660 203.9
[M+NH4]+ 402.28770 208.8
[M+K]+ 423.21704 190.7
[M+H-H2O]+ 367.25114 191.1
[M+HCOO]- 429.25208 210.7
[M+CH3COO]- 443.26773 211.2
[M+Na-2H]- 405.22855 201.8
[M]+ 384.25333 194.8
[M]- 384.25443 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.