CID 9570196

4932-11-0

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]+ 302.088396 164.1
[M+Na]+ 324.070338 167.7
[M-H]- 300.073844 173.9
[M+NH4]+ 319.114943 177.8
[M+K]+ 340.044278 163.0
[M+H-H2O]+ 284.078380 159.0
[M+HCOO]- 346.079321 196.2
[M+CH3COO]- 360.094971 206.1
[M+Na-2H]- 322.055786 173.5
[M]+ 301.08057142 163.4
[M]- 301.08166858 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.