CID 5746486

78205-31-9

Structural Information

Molecular Formula
C9H10N4O5
SMILES
C1COCC(=N1)NNC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O5/c14-9(6-1-2-8(18-6)13(15)16)12-11-7-5-17-4-3-10-7/h1-2H,3-5H2,(H,10,11)(H,12,14)
InChIKey
DXZZCUXKJCZBBN-UHFFFAOYSA-N
Compound name
N'-(3,6-dihydro-2H-1,4-oxazin-5-yl)-5-nitrofuran-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.06512 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07240 151.2
[M+Na]+ 277.05434 155.0
[M-H]- 253.05784 157.7
[M+NH4]+ 272.09894 163.6
[M+K]+ 293.02828 152.0
[M+H-H2O]+ 237.06238 147.4
[M+HCOO]- 299.06332 174.7
[M+CH3COO]- 313.07897 187.3
[M+Na-2H]- 275.03979 160.1
[M]+ 254.06457 148.2
[M]- 254.06567 148.2
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.