CID 3428975

2-[n-(7-nitro-4-benzofurazanyl)methylamino]acethydrazide

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

17
Patents

266.07635 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08363 150.7
[M+Na]+ 289.06557 157.5
[M-H]- 265.06907 155.3
[M+NH4]+ 284.11017 164.4
[M+K]+ 305.03951 153.8
[M+H-H2O]+ 249.07361 146.6
[M+HCOO]- 311.07455 177.3
[M+CH3COO]- 325.09020 198.6
[M+Na-2H]- 287.05102 161.0
[M]+ 266.07580 151.7
[M]- 266.07690 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

literature stripe

Patent stripe

patents stripe