CID 6895717

3-hydroxy-4-methoxybenzaldehyde (3-hydroxy-4-methoxybenzylidene)hydrazone

Structural Information

Molecular Formula
C16H16N2O4
SMILES
COC1=C(C=C(C=C1)/C=N/N=C/C2=CC(=C(C=C2)OC)O)O
InChI
InChI=1S/C16H16N2O4/c1-21-15-5-3-11(7-13(15)19)9-17-18-10-12-4-6-16(22-2)14(20)8-12/h3-10,19-20H,1-2H3/b17-9+,18-10+
InChIKey
VJQJZOHWOCZEGY-BEQMOXJMSA-N
Compound name
5-[(E)-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

300.111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 167.0
[M+Na]+ 323.10022 175.0
[M-H]- 299.10372 174.5
[M+NH4]+ 318.14482 181.9
[M+K]+ 339.07416 172.0
[M+H-H2O]+ 283.10826 158.5
[M+HCOO]- 345.10920 194.0
[M+CH3COO]- 359.12485 208.3
[M+Na-2H]- 321.08567 172.0
[M]+ 300.11045 171.1
[M]- 300.11155 171.1
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.