CID 6444916

Brn 1555811

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1165 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12378 191.6
[M+Na]+ 417.10572 197.0
[M-H]- 393.10922 197.8
[M+NH4]+ 412.15032 200.9
[M+K]+ 433.07966 190.0
[M+H-H2O]+ 377.11376 185.8
[M+HCOO]- 439.11470 211.6
[M+CH3COO]- 453.13035 216.3
[M+Na-2H]- 415.09117 195.9
[M]+ 394.11595 194.9
[M]- 394.11705 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

No patent data available for this compound.