CID 9570196

1-benzylidene-5-(5-nitrofurfurylidene)carbohydrazide

Structural Information

Molecular Formula
C13H11N5O4
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N5O4/c19-13(16-14-8-10-4-2-1-3-5-10)17-15-9-11-6-7-12(22-11)18(20)21/h1-9H,(H2,16,17,19)/b14-8+,15-9+
InChIKey
NGLVIOYBRQNJLC-VOMDNODZSA-N
Compound name
1-[(E)-benzylideneamino]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.08112 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08840 164.1
[M+Na]+ 324.07034 167.7
[M-H]- 300.07384 173.9
[M+NH4]+ 319.11494 177.8
[M+K]+ 340.04428 163.0
[M+H-H2O]+ 284.07838 159.0
[M+HCOO]- 346.07932 196.2
[M+CH3COO]- 360.09497 206.1
[M+Na-2H]- 322.05579 173.5
[M]+ 301.08057 163.4
[M]- 301.08167 163.4
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.