CID 135504430

2,4-dihydroxybenzaldehyde semicarbazone

Structural Information

Molecular Formula
C8H9N3O3
SMILES
C1=CC(=C(C=C1O)O)/C=N/NC(=O)N
InChI
InChI=1S/C8H9N3O3/c9-8(14)11-10-4-5-1-2-6(12)3-7(5)13/h1-4,12-13H,(H3,9,11,14)/b10-4+
InChIKey
LDERFBFHRWDAHJ-ONNFQVAWSA-N
Compound name
[(E)-(2,4-dihydroxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

195.06439 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.071666 138.7
[M+Na]+ 218.053608 145.6
[M-H]- 194.057114 141.2
[M+NH4]+ 213.098213 156.3
[M+K]+ 234.027548 143.6
[M+H-H2O]+ 178.061650 132.1
[M+HCOO]- 240.062591 164.5
[M+CH3COO]- 254.078241 186.9
[M+Na-2H]- 216.039056 144.0
[M]+ 195.06384142 135.9
[M]- 195.06493858 135.9
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

No patent data available for this compound.