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
3
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]+ 319.238016 180.8
[M+Na]+ 341.219958 182.3
[M-H]- 317.223464 185.4
[M+NH4]+ 336.264563 193.6
[M+K]+ 357.193898 180.1
[M+H-H2O]+ 301.228000 170.9
[M+HCOO]- 363.228941 199.0
[M+CH3COO]- 377.244591 212.8
[M+Na-2H]- 339.205406 181.0
[M]+ 318.23019142 180.1
[M]- 318.23128858 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

patents stripe