CID 11820847

1-[3-[2-[1-(6-chloropyridazin-3-yl)-4-piperidyl]ethoxy]-4-methoxy-phenyl]-n-methoxy-methanimine

Structural Information

Molecular Formula
C20H25ClN4O3
SMILES
COC1=C(C=C(C=C1)/C=N/OC)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C20H25ClN4O3/c1-26-17-4-3-16(14-22-27-2)13-18(17)28-12-9-15-7-10-25(11-8-15)20-6-5-19(21)23-24-20/h3-6,13-15H,7-12H2,1-2H3/b22-14+
InChIKey
JHJMIPABIYLGSK-HYARGMPZSA-N
Compound name
(E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]-4-methoxyphenyl]-N-methoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.16153 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16881 196.9
[M+Na]+ 427.15075 202.7
[M-H]- 403.15425 202.5
[M+NH4]+ 422.19535 204.2
[M+K]+ 443.12469 197.3
[M+H-H2O]+ 387.15879 184.1
[M+HCOO]- 449.15973 210.5
[M+CH3COO]- 463.17538 225.2
[M+Na-2H]- 425.13620 198.8
[M]+ 404.16098 200.5
[M]- 404.16208 200.5
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.