CID 45054403

763109-45-1

Structural Information

Molecular Formula
C12H11N3O4
SMILES
C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)NN
InChI
InChI=1S/C12H11N3O4/c13-14-12(16)8-6-10(19-15-8)7-1-2-9-11(5-7)18-4-3-17-9/h1-2,5-6H,3-4,13H2,(H,14,16)
InChIKey
CXPJAJOMIBONBP-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.07495 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.082226 156.7
[M+Na]+ 284.064168 163.6
[M-H]- 260.067674 164.6
[M+NH4]+ 279.108773 169.5
[M+K]+ 300.038108 164.3
[M+H-H2O]+ 244.072210 149.0
[M+HCOO]- 306.073151 176.6
[M+CH3COO]- 320.088801 168.7
[M+Na-2H]- 282.049616 163.5
[M]+ 261.07440142 157.0
[M]- 261.07549858 157.0
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.