CID 3054515

1-benzyl-8-hydroxyquinolinium chloride ethylcarbamate

Structural Information

Molecular Formula
C19H19N2O2
SMILES
CCNC(=O)OC1=CC=CC2=C1[N+](=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O2/c1-2-20-19(22)23-17-12-6-10-16-11-7-13-21(18(16)17)14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3/p+1
InChIKey
JCTNIVSPIUUCCG-UHFFFAOYSA-O
Compound name
(1-benzylquinolin-1-ium-8-yl) N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.14465 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15193 175.1
[M+Na]+ 330.13387 181.4
[M-H]- 306.13737 181.2
[M+NH4]+ 325.17847 188.6
[M+K]+ 346.10781 171.0
[M+H-H2O]+ 290.14191 168.1
[M+HCOO]- 352.14285 196.3
[M+CH3COO]- 366.15850 200.4
[M+Na-2H]- 328.11932 183.6
[M]+ 307.14410 175.2
[M]- 307.14520 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.