CID 135484777

1-hydroxy-3-[(e)-(2,4,6-trihydroxyphenyl)methyleneamino]guanidine

Structural Information

Molecular Formula
C8H10N4O4
SMILES
C1=C(C=C(C(=C1O)/C=N/N=C(\N)/NO)O)O
InChI
InChI=1S/C8H10N4O4/c9-8(12-16)11-10-3-5-6(14)1-4(13)2-7(5)15/h1-3,13-16H,(H3,9,11,12)/b10-3+
InChIKey
QKBOWPKPMZSXOZ-XCVCLJGOSA-N
Compound name
1-hydroxy-2-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0702 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.077476 144.8
[M+Na]+ 249.059418 151.2
[M-H]- 225.062924 146.2
[M+NH4]+ 244.104023 160.2
[M+K]+ 265.033358 149.2
[M+H-H2O]+ 209.067460 137.8
[M+HCOO]- 271.068401 170.1
[M+CH3COO]- 285.084051 193.5
[M+Na-2H]- 247.044866 149.3
[M]+ 226.06965142 141.1
[M]- 226.07074858 141.1
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.