CID 3054509

8-hydroxy-1-methylquinolinium iodide butylcarbamate

Structural Information

Molecular Formula
C15H19N2O2
SMILES
CCCCNC(=O)OC1=CC=CC2=C1[N+](=CC=C2)C
InChI
InChI=1S/C15H18N2O2/c1-3-4-10-16-15(18)19-13-9-5-7-12-8-6-11-17(2)14(12)13/h5-9,11H,3-4,10H2,1-2H3/p+1
InChIKey
OLHYNPPFRIUOPN-UHFFFAOYSA-O
Compound name
(1-methylquinolin-1-ium-8-yl) N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.14465 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.15193 158.0
[M+Na]+ 282.13387 172.9
[M+NH4]+ 277.17847 166.9
[M+K]+ 298.10781 166.2
[M-H]- 258.13737 162.3
[M+Na-2H]- 280.11932 165.3
[M]+ 259.14410 161.7
[M]- 259.14520 161.7
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.