CID 11820850

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

Structural Information

Molecular Formula
C22H29ClN4O3
SMILES
CCOCCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C22H29ClN4O3/c1-2-28-15-16-30-24-17-19-3-5-20(6-4-19)29-14-11-18-9-12-27(13-10-18)22-8-7-21(23)25-26-22/h3-8,17-18H,2,9-16H2,1H3/b24-17+
InChIKey
PSOQKQLEWSVVEP-JJIBRWJFSA-N
Compound name
(E)-1-[4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-(2-ethoxyethoxy)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.1928 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.20008 204.3
[M+Na]+ 455.18202 208.3
[M-H]- 431.18552 209.1
[M+NH4]+ 450.22662 210.1
[M+K]+ 471.15596 202.4
[M+H-H2O]+ 415.19006 190.8
[M+HCOO]- 477.19100 217.2
[M+CH3COO]- 491.20665 229.7
[M+Na-2H]- 453.16747 206.0
[M]+ 432.19225 208.2
[M]- 432.19335 208.2
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.