CID 6451040

210890-81-6

Structural Information

Molecular Formula
C21H19NO4
SMILES
CC1=NC2=C(C=CC=C2OC(=O)/C=C/C3=CC(=C(C=C3)OC)OC)C=C1
InChI
InChI=1S/C21H19NO4/c1-14-7-10-16-5-4-6-18(21(16)22-14)26-20(23)12-9-15-8-11-17(24-2)19(13-15)25-3/h4-13H,1-3H3/b12-9+
InChIKey
CPHKRMYYWIZKOQ-FMIVXFBMSA-N
Compound name
(2-methylquinolin-8-yl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

349.1314 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.138676 183.1
[M+Na]+ 372.120618 191.5
[M-H]- 348.124124 189.5
[M+NH4]+ 367.165223 195.9
[M+K]+ 388.094558 187.1
[M+H-H2O]+ 332.128660 173.3
[M+HCOO]- 394.129601 203.5
[M+CH3COO]- 408.145251 214.2
[M+Na-2H]- 370.106066 186.5
[M]+ 349.13085142 188.7
[M]- 349.13194858 188.7
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.