CID 5746533

Brn 4565665

Structural Information

Molecular Formula
C13H10N4O5
SMILES
C1C(=NC2=CC=CC=C2O1)NNC(=O)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O5/c18-13(10-5-6-12(22-10)17(19)20)16-15-11-7-21-9-4-2-1-3-8(9)14-11/h1-6H,7H2,(H,14,15)(H,16,18)
InChIKey
KWQSQATWVIMOHD-UHFFFAOYSA-N
Compound name
N'-(2H-1,4-benzoxazin-3-yl)-5-nitrofuran-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.06512 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07240 163.5
[M+Na]+ 325.05434 175.0
[M+NH4]+ 320.09894 169.7
[M+K]+ 341.02828 175.5
[M-H]- 301.05784 170.5
[M+Na-2H]- 323.03979 168.5
[M]+ 302.06457 166.7
[M]- 302.06567 166.7
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.