CID 10620

Mepiperphenidol bromide

Structural Information

Molecular Formula
C19H32NO
SMILES
CC(C)C(C1=CC=CC=C1)C(CC[N+]2(CCCCC2)C)O
InChI
InChI=1S/C19H32NO/c1-16(2)19(17-10-6-4-7-11-17)18(21)12-15-20(3)13-8-5-9-14-20/h4,6-7,10-11,16,18-19,21H,5,8-9,12-15H2,1-3H3/q+1
InChIKey
SMOSFFGOYXWICC-UHFFFAOYSA-N
Compound name
5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

95
Patents

290.24838 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.25566 175.2
[M+Na]+ 313.23760 175.9
[M-H]- 289.24110 177.3
[M+NH4]+ 308.28220 189.7
[M+K]+ 329.21154 167.1
[M+H-H2O]+ 273.24564 170.0
[M+HCOO]- 335.24658 187.4
[M+CH3COO]- 349.26223 195.4
[M+Na-2H]- 311.22305 176.7
[M]+ 290.24783 168.5
[M]- 290.24893 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe