CID 3054520

1-allyl-8-hydroxyquinolinium bromide propylcarbamate

Structural Information

Molecular Formula
C16H19N2O2
SMILES
CCCNC(=O)OC1=CC=CC2=C1[N+](=CC=C2)CC=C
InChI
InChI=1S/C16H18N2O2/c1-3-10-17-16(19)20-14-9-5-7-13-8-6-12-18(11-4-2)15(13)14/h4-9,12H,2-3,10-11H2,1H3/p+1
InChIKey
VNCKVCOSIXRPOZ-UHFFFAOYSA-O
Compound name
(1-prop-2-enylquinolin-1-ium-8-yl) N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14465 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15193 164.9
[M+Na]+ 294.13387 171.7
[M-H]- 270.13737 168.0
[M+NH4]+ 289.17847 180.5
[M+K]+ 310.10781 162.1
[M+H-H2O]+ 254.14191 159.6
[M+HCOO]- 316.14285 186.1
[M+CH3COO]- 330.15850 194.4
[M+Na-2H]- 292.11932 172.7
[M]+ 271.14410 165.9
[M]- 271.14520 165.9
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.