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]+ 258.08733 154.4
[M+Na]+ 280.06927 161.2
[M-H]- 256.07277 162.1
[M+NH4]+ 275.11387 169.0
[M+K]+ 296.04321 160.4
[M+H-H2O]+ 240.07731 146.3
[M+HCOO]- 302.07825 177.0
[M+CH3COO]- 316.09390 166.7
[M+Na-2H]- 278.05472 162.9
[M]+ 257.07950 154.8
[M]- 257.08060 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.