CID 184848

Benrixate

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCN(CC)CCOC(=O)N1CCC(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C19H30N2O2/c1-3-20(4-2)14-15-23-19(22)21-12-10-18(11-13-21)16-17-8-6-5-7-9-17/h5-9,18H,3-4,10-16H2,1-2H3
InChIKey
BSRXEULOHCMVFG-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-benzylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

318.23074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 180.8
[M+Na]+ 341.21996 182.3
[M-H]- 317.22346 185.4
[M+NH4]+ 336.26456 193.6
[M+K]+ 357.19390 180.1
[M+H-H2O]+ 301.22800 170.9
[M+HCOO]- 363.22894 199.0
[M+CH3COO]- 377.24459 212.8
[M+Na-2H]- 339.20541 181.0
[M]+ 318.23019 180.1
[M]- 318.23129 180.1
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.