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

200
Patents

234.17322 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe