CID 71749964

Mepivacaine n-oxide

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2CCCC[N+]2(C)[O-]
InChI
InChI=1S/C15H22N2O2/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13,3)19/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)
InChIKey
WQTJWODFSMCWCC-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-1-methyl-1-oxidopiperidin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 159.7
[M+Na]+ 285.15734 164.8
[M-H]- 261.16084 163.3
[M+NH4]+ 280.20194 176.0
[M+K]+ 301.13128 156.7
[M+H-H2O]+ 245.16538 157.3
[M+HCOO]- 307.16632 177.7
[M+CH3COO]- 321.18197 189.6
[M+Na-2H]- 283.14279 164.1
[M]+ 262.16757 153.4
[M]- 262.16867 153.4
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.