CID 6434047

Brn 1552531

Structural Information

Molecular Formula
C18H10Cl2N2O4
SMILES
C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl)N=C1
InChI
InChI=1S/C18H10Cl2N2O4/c19-13-6-3-11(10-14(13)20)4-8-16(23)26-18-15(22(24)25)7-5-12-2-1-9-21-17(12)18/h1-10H/b8-4+
InChIKey
YTNGNUNLQXFJAN-XBXARRHUSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(3,4-dichlorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.00177 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.00905 185.6
[M+Na]+ 410.99099 193.7
[M-H]- 386.99449 190.8
[M+NH4]+ 406.03559 196.8
[M+K]+ 426.96493 183.3
[M+H-H2O]+ 370.99903 182.2
[M+HCOO]- 432.99997 197.7
[M+CH3COO]- 447.01562 210.1
[M+Na-2H]- 408.97644 190.4
[M]+ 388.00122 189.7
[M]- 388.00232 189.7
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.