CID 11820865

3-[(e)-allyloxyiminomethyl]-5-[2-[1-(6-chloropyridazin-3-yl)-4-piperidyl]ethoxy]phenol

Structural Information

Molecular Formula
C21H25ClN4O3
SMILES
C=CCO/N=C/C1=CC(=CC(=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl)O
InChI
InChI=1S/C21H25ClN4O3/c1-2-10-29-23-15-17-12-18(27)14-19(13-17)28-11-7-16-5-8-26(9-6-16)21-4-3-20(22)24-25-21/h2-4,12-16,27H,1,5-11H2/b23-15+
InChIKey
ODZYYDKGZHARLH-HZHRSRAPSA-N
Compound name
3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]-5-[(E)-prop-2-enoxyiminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.16153 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16881 200.1
[M+Na]+ 439.15075 205.4
[M-H]- 415.15425 204.3
[M+NH4]+ 434.19535 206.2
[M+K]+ 455.12469 198.3
[M+H-H2O]+ 399.15879 187.7
[M+HCOO]- 461.15973 212.1
[M+CH3COO]- 475.17538 225.1
[M+Na-2H]- 437.13620 201.2
[M]+ 416.16098 201.7
[M]- 416.16208 201.7
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.