CID 6434056

29002-38-8

Structural Information

Molecular Formula
C20H16N2O5
SMILES
C/C(=C\C1=CC=CC=C1OC)/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H16N2O5/c1-13(12-15-6-3-4-8-17(15)26-2)20(23)27-19-16(22(24)25)10-9-14-7-5-11-21-18(14)19/h3-12H,1-2H3/b13-12+
InChIKey
MLKLQYNHHPTIBJ-OUKQBFOZSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(2-methoxyphenyl)-2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.10593 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11321 181.6
[M+Na]+ 387.09515 196.4
[M+NH4]+ 382.13975 187.8
[M+K]+ 403.06909 192.2
[M-H]- 363.09865 186.0
[M+Na-2H]- 385.08060 188.7
[M]+ 364.10538 184.8
[M]- 364.10648 184.8
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.