CID 6444917

Brn 1547052

Structural Information

Molecular Formula
C18H12N2O4
SMILES
C1=CC=C(C=C1)/C=C/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H12N2O4/c21-16(11-8-13-5-2-1-3-6-13)24-18-15(20(22)23)10-9-14-7-4-12-19-17(14)18/h1-12H/b11-8+
InChIKey
YCOUIQFUHWMCJX-DHZHZOJOSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0797 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08698 172.3
[M+Na]+ 343.06892 178.3
[M-H]- 319.07242 178.3
[M+NH4]+ 338.11352 184.5
[M+K]+ 359.04286 169.6
[M+H-H2O]+ 303.07696 167.1
[M+HCOO]- 365.07790 194.2
[M+CH3COO]- 379.09355 200.0
[M+Na-2H]- 341.05437 180.1
[M]+ 320.07915 171.8
[M]- 320.08025 171.8
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.