CID 3061298

Brn 4702699

Structural Information

Molecular Formula
C13H11N3O3
SMILES
C1C(=NC2=CC=CC=C2O1)NNC(=O)C3=CC=CO3
InChI
InChI=1S/C13H11N3O3/c17-13(11-6-3-7-18-11)16-15-12-8-19-10-5-2-1-4-9(10)14-12/h1-7H,8H2,(H,14,15)(H,16,17)
InChIKey
GVISZWLIJCVBOG-UHFFFAOYSA-N
Compound name
N'-(2H-1,4-benzoxazin-3-yl)furan-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.087326 154.4
[M+Na]+ 280.069268 161.2
[M-H]- 256.072774 162.1
[M+NH4]+ 275.113873 169.0
[M+K]+ 296.043208 160.4
[M+H-H2O]+ 240.077310 146.3
[M+HCOO]- 302.078251 177.0
[M+CH3COO]- 316.093901 166.7
[M+Na-2H]- 278.054716 162.9
[M]+ 257.07950142 154.8
[M]- 257.08059858 154.8
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.