CID 5746533

78959-38-3

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]+ 303.072396 161.8
[M+Na]+ 325.054338 166.8
[M-H]- 301.057844 169.6
[M+NH4]+ 320.098943 173.4
[M+K]+ 341.028278 162.5
[M+H-H2O]+ 285.062380 157.7
[M+HCOO]- 347.063321 185.0
[M+CH3COO]- 361.078971 198.1
[M+Na-2H]- 323.039786 171.9
[M]+ 302.06457142 161.0
[M]- 302.06566858 161.0
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.