CID 6433565

Brn 0704736

Structural Information

Molecular Formula
C16H12N4O4
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)/C=C/C3=CC=C(O3)[N+](=O)[O-])C(=O)NN
InChI
InChI=1S/C16H12N4O4/c17-19-16(21)13-9-10(18-14-4-2-1-3-12(13)14)5-6-11-7-8-15(24-11)20(22)23/h1-9H,17H2,(H,19,21)/b6-5+
InChIKey
IIIFUWYNCHEGLK-AATRIKPKSA-N
Compound name
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.08585 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09313 170.7
[M+Na]+ 347.07507 177.5
[M-H]- 323.07857 178.1
[M+NH4]+ 342.11967 182.9
[M+K]+ 363.04901 169.9
[M+H-H2O]+ 307.08311 166.4
[M+HCOO]- 369.08405 196.1
[M+CH3COO]- 383.09970 204.2
[M+Na-2H]- 345.06052 178.6
[M]+ 324.08530 170.5
[M]- 324.08640 170.5
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.