CID 5470452

Nsc702012

Structural Information

Molecular Formula
C16H12N4O7
SMILES
C1=CC=C(C=C1)/C(=C/C(=O)C(=O)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/O
InChI
InChI=1S/C16H12N4O7/c21-14(10-4-2-1-3-5-10)9-15(22)16(23)18-17-12-7-6-11(19(24)25)8-13(12)20(26)27/h1-9,17,21H,(H,18,23)/b14-9-
InChIKey
GQNQUENYEQAHKJ-ZROIWOOFSA-N
Compound name
(Z)-N'-(2,4-dinitrophenyl)-4-hydroxy-2-oxo-4-phenylbut-3-enehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.0706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07788 177.5
[M+Na]+ 395.05982 178.1
[M-H]- 371.06332 182.0
[M+NH4]+ 390.10442 184.6
[M+K]+ 411.03376 167.7
[M+H-H2O]+ 355.06786 177.0
[M+HCOO]- 417.06880 200.6
[M+CH3COO]- 431.08445 204.6
[M+Na-2H]- 393.04527 183.5
[M]+ 372.07005 171.6
[M]- 372.07115 171.6
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.