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]+ 227.07748 144.8
[M+Na]+ 249.05942 151.2
[M-H]- 225.06292 146.2
[M+NH4]+ 244.10402 160.2
[M+K]+ 265.03336 149.2
[M+H-H2O]+ 209.06746 137.8
[M+HCOO]- 271.06840 170.1
[M+CH3COO]- 285.08405 193.5
[M+Na-2H]- 247.04487 149.3
[M]+ 226.06965 141.1
[M]- 226.07075 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.