CID 2474

Bupivacaine

Structural Information

Molecular Formula

C₁₈H₂₈N₂O

SMILES

CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(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

LEBVLXFERQHONN-UHFFFAOYSA-N

Compound name

1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 15742
References: 50835
Patents: 288.22015 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	289.22743	173.4
[M+Na]+	311.20937	184.7
[M+NH4]+	306.25397	181.0
[M+K]+	327.18331	177.0
[M-H]-	287.21287	177.4
[M+Na-2H]-	309.19482	179.0
[M]+	288.21960	176.0
[M]-	288.22070	176.0

Literature stripe

literature stripe

Patent stripe

patents stripe