CID 72064

Bietamiverine hydrochloride

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)N2CCCCC2
InChI
InChI=1S/C19H30N2O2/c1-3-20(4-2)15-16-23-19(22)18(17-11-7-5-8-12-17)21-13-9-6-10-14-21/h5,7-8,11-12,18H,3-4,6,9-10,13-16H2,1-2H3
InChIKey
JGTJANXYSNVLMQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-phenyl-2-piperidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1019
Patents

318.23074 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 180.2
[M+Na]+ 341.21996 189.4
[M+NH4]+ 336.26456 187.0
[M+K]+ 357.19390 182.9
[M-H]- 317.22346 183.5
[M+Na-2H]- 339.20541 185.7
[M]+ 318.23019 182.2
[M]- 318.23129 182.2
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