CID 6434051

29002-30-0

Structural Information

Molecular Formula
C19H13ClN2O4
SMILES
C/C(=C\C1=CC(=CC=C1)Cl)/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H13ClN2O4/c1-12(10-13-4-2-6-15(20)11-13)19(23)26-18-16(22(24)25)8-7-14-5-3-9-21-17(14)18/h2-11H,1H3/b12-10+
InChIKey
GQMPQAZGEZGKGB-ZRDIBKRKSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(3-chlorophenyl)-2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0564 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.06368 180.0
[M+Na]+ 391.04562 196.4
[M+NH4]+ 386.09022 187.3
[M+K]+ 407.01956 190.9
[M-H]- 367.04912 185.0
[M+Na-2H]- 389.03107 187.9
[M]+ 368.05585 184.0
[M]- 368.05695 184.0
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.