CID 6444909

Brn 1554578

Structural Information

Molecular Formula
C19H12N2O6
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H12N2O6/c22-17(8-4-12-3-7-15-16(10-12)26-11-25-15)27-19-14(21(23)24)6-5-13-2-1-9-20-18(13)19/h1-10H,11H2/b8-4+
InChIKey
BYTFFCAAWQTQFM-XBXARRHUSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.06955 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07683 179.3
[M+Na]+ 387.05877 193.8
[M+NH4]+ 382.10337 185.9
[M+K]+ 403.03271 192.3
[M-H]- 363.06227 186.1
[M+Na-2H]- 385.04422 183.9
[M]+ 364.06900 183.1
[M]- 364.07010 183.1
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.