CID 135474711

4-[(2z)-2-(1-benzoyl-2-oxo-propylidene)hydrazino]-n-[(e)-(5-nitro-2-furyl)methyleneamino]benzamide

Structural Information

Molecular Formula
C22H17N5O6
SMILES
CC(=O)/C(=C(\C1=CC=CC=C1)/O)/N=NC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C22H17N5O6/c1-14(28)20(21(29)15-5-3-2-4-6-15)25-24-17-9-7-16(8-10-17)22(30)26-23-13-18-11-12-19(33-18)27(31)32/h2-13,29H,1H3,(H,26,30)/b21-20-,23-13+,25-24?
InChIKey
LBDQYGAUALKXDO-GNNKIMRISA-N
Compound name
4-[[(Z)-1-hydroxy-3-oxo-1-phenylbut-1-en-2-yl]diazenyl]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

447.1179 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.12518 204.3
[M+Na]+ 470.10712 204.6
[M-H]- 446.11062 216.6
[M+NH4]+ 465.15172 210.9
[M+K]+ 486.08106 200.0
[M+H-H2O]+ 430.11516 197.5
[M+HCOO]- 492.11610 232.0
[M+CH3COO]- 506.13175 235.2
[M+Na-2H]- 468.09257 208.2
[M]+ 447.11735 203.9
[M]- 447.11845 203.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.