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]+ 381.21728 194.1
[M+Na]+ 403.19922 197.5
[M-H]- 379.20272 201.4
[M+NH4]+ 398.24382 203.7
[M+K]+ 419.17316 193.2
[M+H-H2O]+ 363.20726 183.5
[M+HCOO]- 425.20820 211.0
[M+CH3COO]- 439.22385 223.3
[M+Na-2H]- 401.18467 192.3
[M]+ 380.20945 192.2
[M]- 380.21055 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.