CID 65770

Bumecaine

Structural Information

Molecular Formula

C₁₈H₂₈N₂O

SMILES

CCCCN1CCCC1C(=O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C18H28N2O/c1-5-6-9-20-10-7-8-16(20)18(21)19-17-14(3)11-13(2)12-15(17)4/h11-12,16H,5-10H2,1-4H3,(H,19,21)

InChIKey

VEPZOLKTNZOTTQ-UHFFFAOYSA-N

Compound name

1-butyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 40
References: 188
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	173.7
[M+Na]+	311.20937	184.1
[M+NH4]+	306.25397	180.9
[M+K]+	327.18331	178.8
[M-H]-	287.21287	176.9
[M+Na-2H]-	309.19482	178.0
[M]+	288.21960	175.9
[M]-	288.22070	175.9

Literature stripe

literature stripe

Patent stripe

patents stripe