CID 3054523

1-ethyl-8-hydroxyquinolinium iodide butylcarbamate

Structural Information

Molecular Formula
C16H21N2O2
SMILES
CCCCNC(=O)OC1=CC=CC2=C1[N+](=CC=C2)CC
InChI
InChI=1S/C16H20N2O2/c1-3-5-11-17-16(19)20-14-10-6-8-13-9-7-12-18(4-2)15(13)14/h6-10,12H,3-5,11H2,1-2H3/p+1
InChIKey
LHZRRZAQWPQPJH-UHFFFAOYSA-O
Compound name
(1-ethylquinolin-1-ium-8-yl) N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1603 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16758 166.1
[M+Na]+ 296.14952 172.7
[M-H]- 272.15302 169.2
[M+NH4]+ 291.19412 181.7
[M+K]+ 312.12346 163.6
[M+H-H2O]+ 256.15756 160.7
[M+HCOO]- 318.15850 187.2
[M+CH3COO]- 332.17415 195.4
[M+Na-2H]- 294.13497 173.9
[M]+ 273.15975 167.9
[M]- 273.16085 167.9
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.