CID 136503688

882864-82-6

Structural Information

Molecular Formula
C23H26N4O4
SMILES
CCCCCOC1=CC=C(C=C1)C2=NNC(=O)C=C2N/N=C/C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C23H26N4O4/c1-3-4-5-12-31-18-9-7-17(8-10-18)23-19(14-22(29)26-27-23)25-24-15-16-6-11-20(28)21(13-16)30-2/h6-11,13-15,28H,3-5,12H2,1-2H3,(H2,25,26,29)/b24-15+
InChIKey
AKUXCVCZXAHPRP-BUVRLJJBSA-N
Compound name
4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-(4-pentoxyphenyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1954 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.20268 202.4
[M+Na]+ 445.18462 208.5
[M-H]- 421.18812 208.2
[M+NH4]+ 440.22922 208.2
[M+K]+ 461.15856 202.2
[M+H-H2O]+ 405.19266 190.2
[M+HCOO]- 467.19360 223.7
[M+CH3COO]- 481.20925 230.4
[M+Na-2H]- 443.17007 205.5
[M]+ 422.19485 205.6
[M]- 422.19595 205.6
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.