CID 65685

Quatacaine hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₂N₂O

SMILES

CCCNC(C)(C)C(=O)NC1=CC=CC=C1C

InChI

InChI=1S/C14H22N2O/c1-5-10-15-14(3,4)13(17)16-12-9-7-6-8-11(12)2/h6-9,15H,5,10H2,1-4H3,(H,16,17)

InChIKey

PTTCXIMECHPBJX-UHFFFAOYSA-N

Compound name

2-methyl-N-(2-methylphenyl)-2-(propylamino)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 201
Patents: 234.17322 Da
Monoisotopic Mass: 1.9
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]+	235.18050	157.2
[M+Na]+	257.16244	162.2
[M-H]-	233.16594	160.5
[M+NH4]+	252.20704	174.7
[M+K]+	273.13638	159.8
[M+H-H2O]+	217.17048	150.7
[M+HCOO]-	279.17142	180.0
[M+CH3COO]-	293.18707	199.1
[M+Na-2H]-	255.14789	162.0
[M]+	234.17267	157.3
[M]-	234.17377	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe