CID 3078920

4-benzoyloxypiperidinoacetomesidide hydrochloride

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CN2CCC(CC2)OC(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C23H28N2O3/c1-16-13-17(2)22(18(3)14-16)24-21(26)15-25-11-9-20(10-12-25)28-23(27)19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,24,26)
InChIKey
KJRITOCZZCIJLA-UHFFFAOYSA-N
Compound name
[1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-4-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.21 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.217276 194.1
[M+Na]+ 403.199218 197.5
[M-H]- 379.202724 201.4
[M+NH4]+ 398.243823 203.7
[M+K]+ 419.173158 193.2
[M+H-H2O]+ 363.207260 183.5
[M+HCOO]- 425.208201 211.0
[M+CH3COO]- 439.223851 223.3
[M+Na-2H]- 401.184666 192.3
[M]+ 380.20945142 192.2
[M]- 380.21054858 192.2
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.