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 161.8
[M+Na]+ 325.05434 166.8
[M-H]- 301.05784 169.6
[M+NH4]+ 320.09894 173.4
[M+K]+ 341.02828 162.5
[M+H-H2O]+ 285.06238 157.7
[M+HCOO]- 347.06332 185.0
[M+CH3COO]- 361.07897 198.1
[M+Na-2H]- 323.03979 171.9
[M]+ 302.06457 161.0
[M]- 302.06567 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.