CID 3428975

Dtxsid40392390

Structural Information

Molecular Formula
C9H10N6O4
SMILES
CN(CC(=O)NN)C1=CC=C(C2=NON=C12)[N+](=O)[O-]
InChI
InChI=1S/C9H10N6O4/c1-14(4-7(16)11-10)5-2-3-6(15(17)18)9-8(5)12-19-13-9/h2-3H,4,10H2,1H3,(H,11,16)
InChIKey
IDJGYEQXPMQJKF-UHFFFAOYSA-N
Compound name
2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

266.07635 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.083626 150.7
[M+Na]+ 289.065568 157.5
[M-H]- 265.069074 155.3
[M+NH4]+ 284.110173 164.4
[M+K]+ 305.039508 153.8
[M+H-H2O]+ 249.073610 146.6
[M+HCOO]- 311.074551 177.3
[M+CH3COO]- 325.090201 198.6
[M+Na-2H]- 287.051016 161.0
[M]+ 266.07580142 151.7
[M]- 266.07689858 151.7
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.