CID 135521392

6,7-dihydro-2,1,3-benzoxadiazole-4,5-dione 4-(phenylhydrazone) 5-oxime

Structural Information

Molecular Formula
C12H11N5O2
SMILES
C1C/C(=N\O)/C(=N\NC2=CC=CC=C2)/C3=NON=C31
InChI
InChI=1S/C12H11N5O2/c18-15-9-6-7-10-12(17-19-16-10)11(9)14-13-8-4-2-1-3-5-8/h1-5,13,18H,6-7H2/b14-11+,15-9+
InChIKey
GFLIUWMYRGYJFD-SROZLARBSA-N
Compound name
(NE)-N-[(4E)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.09128 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09856 152.4
[M+Na]+ 280.08050 159.5
[M-H]- 256.08400 159.4
[M+NH4]+ 275.12510 167.5
[M+K]+ 296.05444 157.1
[M+H-H2O]+ 240.08854 142.9
[M+HCOO]- 302.08948 177.0
[M+CH3COO]- 316.10513 164.5
[M+Na-2H]- 278.06595 161.4
[M]+ 257.09073 151.1
[M]- 257.09183 151.1
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.