CID 6434058

Brn 1550118

Structural Information

Molecular Formula
C19H14N2O4
SMILES
C/C(=C\C1=CC=CC=C1)/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H14N2O4/c1-13(12-14-6-3-2-4-7-14)19(22)25-18-16(21(23)24)10-9-15-8-5-11-20-17(15)18/h2-12H,1H3/b13-12+
InChIKey
XYOVSNKOPJEENH-OUKQBFOZSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-2-methyl-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.09537 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10265 176.4
[M+Na]+ 357.08459 181.6
[M-H]- 333.08809 182.2
[M+NH4]+ 352.12919 187.9
[M+K]+ 373.05853 173.3
[M+H-H2O]+ 317.09263 171.2
[M+HCOO]- 379.09357 197.0
[M+CH3COO]- 393.10922 203.7
[M+Na-2H]- 355.07004 182.6
[M]+ 334.09482 175.6
[M]- 334.09592 175.6
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.