CID 6434057

Brn 1553667

Structural Information

Molecular Formula
C20H16N2O5
SMILES
C/C(=C\C1=CC=C(C=C1)OC)/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H16N2O5/c1-13(12-14-5-8-16(26-2)9-6-14)20(23)27-19-17(22(24)25)10-7-15-4-3-11-21-18(15)19/h3-12H,1-2H3/b13-12+
InChIKey
VXZCUKLJHIFYOH-OUKQBFOZSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(4-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 184.1
[M+Na]+ 387.09515 189.4
[M-H]- 363.09865 190.1
[M+NH4]+ 382.13975 194.5
[M+K]+ 403.06909 181.7
[M+H-H2O]+ 347.10319 178.6
[M+HCOO]- 409.10413 204.4
[M+CH3COO]- 423.11978 209.9
[M+Na-2H]- 385.08060 189.3
[M]+ 364.10538 185.4
[M]- 364.10648 185.4
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.