CID 135493570

4-(acetylacetonylidene hydrazino)-[(4-hydroxy-3-methoxyphenyl)methylene]benzoic acid hydrazide

Structural Information

Molecular Formula
C20H20N4O5
SMILES
C/C(=C(\C(=O)C)/N=NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)O)OC)/O
InChI
InChI=1S/C20H20N4O5/c1-12(25)19(13(2)26)23-22-16-7-5-15(6-8-16)20(28)24-21-11-14-4-9-17(27)18(10-14)29-3/h4-11,25,27H,1-3H3,(H,24,28)/b19-12-,21-11+,23-22?
InChIKey
KJRFKOUMXTUUJO-OFHOOKDLSA-N
Compound name
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.14337 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15065 193.0
[M+Na]+ 419.13259 196.3
[M-H]- 395.13609 200.8
[M+NH4]+ 414.17719 202.8
[M+K]+ 435.10653 195.1
[M+H-H2O]+ 379.14063 182.9
[M+HCOO]- 441.14157 218.7
[M+CH3COO]- 455.15722 234.5
[M+Na-2H]- 417.11804 193.5
[M]+ 396.14282 195.0
[M]- 396.14392 195.0
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.