CID 3025

Dibucaine

Structural Information

Molecular Formula

C₂₀H₂₉N₃O₂

SMILES

CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC

InChI

InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)

InChIKey

PUFQVTATUTYEAL-UHFFFAOYSA-N

Compound name

2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1167
References: 28632
Patents: 343.22598 Da
Monoisotopic Mass: 4.4
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]+	344.23326	186.4
[M+Na]+	366.21520	190.4
[M-H]-	342.21870	189.7
[M+NH4]+	361.25980	199.5
[M+K]+	382.18914	187.4
[M+H-H2O]+	326.22324	176.8
[M+HCOO]-	388.22418	207.9
[M+CH3COO]-	402.23983	223.4
[M+Na-2H]-	364.20065	189.5
[M]+	343.22543	191.4
[M]-	343.22653	191.4

Literature stripe

literature stripe

Patent stripe

patents stripe