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]+ 258.112476 158.0
[M+Na]+ 280.094418 165.8
[M-H]- 256.097924 159.6
[M+NH4]+ 275.139023 174.0
[M+K]+ 296.068358 161.6
[M+H-H2O]+ 240.102460 150.6
[M+HCOO]- 302.103401 177.6
[M+CH3COO]- 316.119051 193.8
[M+Na-2H]- 278.079866 163.2
[M]+ 257.10465142 160.4
[M]- 257.10574858 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.