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]+ 329.14958 176.1
[M+Na]+ 351.13152 183.1
[M-H]- 327.13502 183.1
[M+NH4]+ 346.17612 189.8
[M+K]+ 367.10546 179.7
[M+H-H2O]+ 311.13956 167.1
[M+HCOO]- 373.14050 202.3
[M+CH3COO]- 387.15615 214.3
[M+Na-2H]- 349.11697 180.0
[M]+ 328.14175 180.8
[M]- 328.14285 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