CID 11820810

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

Structural Information

Molecular Formula
C21H27ClN4O3
SMILES
CCO/N=C/C1=CC(=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl)OC
InChI
InChI=1S/C21H27ClN4O3/c1-3-29-23-15-17-4-5-18(19(14-17)27-2)28-13-10-16-8-11-26(12-9-16)21-7-6-20(22)24-25-21/h4-7,14-16H,3,8-13H2,1-2H3/b23-15+
InChIKey
JINSZRAYMCWHGY-HZHRSRAPSA-N
Compound name
(E)-1-[4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]-3-methoxyphenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.17715 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.18443 201.1
[M+Na]+ 441.16637 206.5
[M-H]- 417.16987 206.6
[M+NH4]+ 436.21097 207.9
[M+K]+ 457.14031 200.9
[M+H-H2O]+ 401.17441 188.2
[M+HCOO]- 463.17535 214.4
[M+CH3COO]- 477.19100 228.1
[M+Na-2H]- 439.15182 202.5
[M]+ 418.17660 205.1
[M]- 418.17770 205.1
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.