CID 135418706

3-ethoxy-4-hydroxybenzaldehyde (3-ethoxy-4-hydroxybenzylidene)hydrazone

Structural Information

Molecular Formula
C18H20N2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/N=C/C2=CC(=C(C=C2)O)OCC)O
InChI
InChI=1S/C18H20N2O4/c1-3-23-17-9-13(5-7-15(17)21)11-19-20-12-14-6-8-16(22)18(10-14)24-4-2/h5-12,21-22H,3-4H2,1-2H3/b19-11+,20-12+
InChIKey
PELLUKWQMGVZFR-AYKLPDECSA-N
Compound name
2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

328.1423 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.149576 176.1
[M+Na]+ 351.131518 183.1
[M-H]- 327.135024 183.1
[M+NH4]+ 346.176123 189.8
[M+K]+ 367.105458 179.7
[M+H-H2O]+ 311.139560 167.1
[M+HCOO]- 373.140501 202.3
[M+CH3COO]- 387.156151 214.3
[M+Na-2H]- 349.116966 180.0
[M]+ 328.14175142 180.8
[M]- 328.14284858 180.8
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

patents stripe