CID 71314303

Bupivacaine n-oxide

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCCC[N+]1(CCCCC1C(=O)NC2=C(C=CC=C2C)C)[O-]
InChI
InChI=1S/C18H28N2O2/c1-4-5-12-20(22)13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
InChIKey
XZMRWWGDLLHXQD-UHFFFAOYSA-N
Compound name
1-butyl-N-(2,6-dimethylphenyl)-1-oxidopiperidin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

304.2151 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 173.6
[M+Na]+ 327.20432 177.3
[M-H]- 303.20782 176.5
[M+NH4]+ 322.24892 188.1
[M+K]+ 343.17826 168.5
[M+H-H2O]+ 287.21236 170.5
[M+HCOO]- 349.21330 190.5
[M+CH3COO]- 363.22895 198.7
[M+Na-2H]- 325.18977 176.4
[M]+ 304.21455 168.3
[M]- 304.21565 168.3
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