CID 11820849

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

Structural Information

Molecular Formula
C21H27ClN4O3
SMILES
C/C(=N\OC)/C1=CC(=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl)OC
InChI
InChI=1S/C21H27ClN4O3/c1-15(25-28-3)17-4-5-18(19(14-17)27-2)29-13-10-16-8-11-26(12-9-16)21-7-6-20(22)23-24-21/h4-7,14,16H,8-13H2,1-3H3/b25-15+
InChIKey
MUISVZPHKBYOGX-MFKUBSTISA-N
Compound name
(E)-1-[4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]-3-methoxyphenyl]-N-methoxyethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.17715 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.18443 200.7
[M+Na]+ 441.16637 205.8
[M-H]- 417.16987 206.3
[M+NH4]+ 436.21097 207.5
[M+K]+ 457.14031 200.8
[M+H-H2O]+ 401.17441 188.1
[M+HCOO]- 463.17535 213.1
[M+CH3COO]- 477.19100 229.0
[M+Na-2H]- 439.15182 201.1
[M]+ 418.17660 204.3
[M]- 418.17770 204.3
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.