CID 3054513

1-allyl-8-hydroxyquinolinium bromide ethylcarbamate

Structural Information

Molecular Formula
C15H17N2O2
SMILES
CCNC(=O)OC1=CC=CC2=C1[N+](=CC=C2)CC=C
InChI
InChI=1S/C15H16N2O2/c1-3-10-17-11-6-8-12-7-5-9-13(14(12)17)19-15(18)16-4-2/h3,5-9,11H,1,4,10H2,2H3/p+1
InChIKey
VUINITUADWLOAU-UHFFFAOYSA-O
Compound name
(1-prop-2-enylquinolin-1-ium-8-yl) N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.129 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.136276 160.1
[M+Na]+ 280.118218 167.4
[M-H]- 256.121724 163.4
[M+NH4]+ 275.162823 176.3
[M+K]+ 296.092158 158.0
[M+H-H2O]+ 240.126260 155.0
[M+HCOO]- 302.127201 181.8
[M+CH3COO]- 316.142851 191.4
[M+Na-2H]- 278.103666 168.5
[M]+ 257.12845142 160.8
[M]- 257.12954858 160.8
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.