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]+ 258.13628 157.1
[M+Na]+ 280.11822 172.1
[M+NH4]+ 275.16282 165.8
[M+K]+ 296.09216 165.3
[M-H]- 256.12172 161.1
[M+Na-2H]- 278.10367 164.3
[M]+ 257.12845 160.7
[M]- 257.12955 160.7
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.