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]+ 262.08223 156.7
[M+Na]+ 284.06417 163.6
[M-H]- 260.06767 164.6
[M+NH4]+ 279.10877 169.5
[M+K]+ 300.03811 164.3
[M+H-H2O]+ 244.07221 149.0
[M+HCOO]- 306.07315 176.6
[M+CH3COO]- 320.08880 168.7
[M+Na-2H]- 282.04962 163.5
[M]+ 261.07440 157.0
[M]- 261.07550 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.