CID 135421637

4-hydroxy-3-methoxybenzaldehyde semicarbazone

Structural Information

Molecular Formula
C9H11N3O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)N)O
InChI
InChI=1S/C9H11N3O3/c1-15-8-4-6(2-3-7(8)13)5-11-12-9(10)14/h2-5,13H,1H3,(H3,10,12,14)/b11-5+
InChIKey
LNACHOJLTKNOHU-VZUCSPMQSA-N
Compound name
[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

209.08005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 142.9
[M+Na]+ 232.06927 149.8
[M-H]- 208.07277 146.6
[M+NH4]+ 227.11387 160.7
[M+K]+ 248.04321 148.4
[M+H-H2O]+ 192.07731 135.9
[M+HCOO]- 254.07825 169.9
[M+CH3COO]- 268.09390 192.2
[M+Na-2H]- 230.05472 148.2
[M]+ 209.07950 142.3
[M]- 209.08060 142.3
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.