CID 135521395

Nsc663964

Structural Information

Molecular Formula
C12H11N5O3
SMILES
C\1CC2=[N+](ON=C2/C(=N\NC3=CC=CC=C3)/C1=N\O)[O-]
InChI
InChI=1S/C12H11N5O3/c18-15-9-6-7-10-12(16-20-17(10)19)11(9)14-13-8-4-2-1-3-5-8/h1-5,13,18H,6-7H2/b14-11-,15-9-
InChIKey
YFXLAGXFGCCWIV-FCNLOUOCSA-N
Compound name
(NZ)-N-[(4Z)-1-oxido-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-1-ium-5-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.08618 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09346 154.8
[M+Na]+ 296.07540 161.1
[M-H]- 272.07890 160.6
[M+NH4]+ 291.12000 168.1
[M+K]+ 312.04934 153.8
[M+H-H2O]+ 256.08344 150.1
[M+HCOO]- 318.08438 178.3
[M+CH3COO]- 332.10003 193.6
[M+Na-2H]- 294.06085 165.4
[M]+ 273.08563 151.1
[M]- 273.08673 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.