CID 135435170

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

Structural Information

Molecular Formula
C20H25ClN4O3
SMILES
CCO/N=C/C1=C(C=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl)O
InChI
InChI=1S/C20H25ClN4O3/c1-2-28-22-14-16-3-4-17(13-18(16)26)27-12-9-15-7-10-25(11-8-15)20-6-5-19(21)23-24-20/h3-6,13-15,26H,2,7-12H2,1H3/b22-14+
InChIKey
QNVXZJSMFBFVPY-HYARGMPZSA-N
Compound name
5-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]-2-[(E)-ethoxyiminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.16153 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16881 196.6
[M+Na]+ 427.15075 202.0
[M-H]- 403.15425 201.0
[M+NH4]+ 422.19535 203.3
[M+K]+ 443.12469 195.8
[M+H-H2O]+ 387.15879 184.3
[M+HCOO]- 449.15973 208.8
[M+CH3COO]- 463.17538 222.9
[M+Na-2H]- 425.13620 198.2
[M]+ 404.16098 198.5
[M]- 404.16208 198.5
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.