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 167.3
[M+Na]+ 324.07034 176.2
[M+NH4]+ 319.11494 172.8
[M+K]+ 340.04428 175.6
[M-H]- 300.07384 174.0
[M+Na-2H]- 322.05579 173.5
[M]+ 301.08057 169.8
[M]- 301.08167 169.8
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.