CID 6444915

29002-40-2

Structural Information

Molecular Formula
C21H18N2O6
SMILES
C/C(=C\C1=C(C(=CC=C1)OC)OC)/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H18N2O6/c1-13(12-15-6-4-8-17(27-2)19(15)28-3)21(24)29-20-16(23(25)26)10-9-14-7-5-11-22-18(14)20/h4-12H,1-3H3/b13-12+
InChIKey
KURSJOHAXXDKQL-OUKQBFOZSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.1165 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.123776 191.6
[M+Na]+ 417.105718 197.0
[M-H]- 393.109224 197.8
[M+NH4]+ 412.150323 200.9
[M+K]+ 433.079658 190.0
[M+H-H2O]+ 377.113760 185.8
[M+HCOO]- 439.114701 211.6
[M+CH3COO]- 453.130351 216.3
[M+Na-2H]- 415.091166 195.9
[M]+ 394.11595142 194.9
[M]- 394.11704858 194.9
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

patents stripe