CID 2451326

(2e)-3-(2-propoxyquinolin-3-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C15H15NO3
SMILES
CCCOC1=NC2=CC=CC=C2C=C1/C=C/C(=O)O
InChI
InChI=1S/C15H15NO3/c1-2-9-19-15-12(7-8-14(17)18)10-11-5-3-4-6-13(11)16-15/h3-8,10H,2,9H2,1H3,(H,17,18)/b8-7+
InChIKey
XABXGCZYGRGUEQ-BQYQJAHWSA-N
Compound name
(E)-3-(2-propoxyquinolin-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

257.1052 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 158.0
[M+Na]+ 280.09442 165.8
[M-H]- 256.09792 159.6
[M+NH4]+ 275.13902 174.0
[M+K]+ 296.06836 161.6
[M+H-H2O]+ 240.10246 150.6
[M+HCOO]- 302.10340 177.6
[M+CH3COO]- 316.11905 193.8
[M+Na-2H]- 278.07987 163.2
[M]+ 257.10465 160.4
[M]- 257.10575 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.