CID 11820867

1-[4-[2-[1-(6-chloropyridazin-3-yl)-4-piperidyl]ethoxy]-3,5-dimethyl-phenyl]-n-ethoxy-methanimine

Structural Information

Molecular Formula
C22H29ClN4O2
SMILES
CCO/N=C/C1=CC(=C(C(=C1)C)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl)C
InChI
InChI=1S/C22H29ClN4O2/c1-4-29-24-15-19-13-16(2)22(17(3)14-19)28-12-9-18-7-10-27(11-8-18)21-6-5-20(23)25-26-21/h5-6,13-15,18H,4,7-12H2,1-3H3/b24-15+
InChIKey
YLMCXTAHVILNMY-BUVRLJJBSA-N
Compound name
(E)-1-[4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]-3,5-dimethylphenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1979 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20518 204.2
[M+Na]+ 439.18712 210.3
[M-H]- 415.19062 209.8
[M+NH4]+ 434.23172 211.5
[M+K]+ 455.16106 203.7
[M+H-H2O]+ 399.19516 191.4
[M+HCOO]- 461.19610 216.9
[M+CH3COO]- 475.21175 230.1
[M+Na-2H]- 437.17257 204.1
[M]+ 416.19735 207.6
[M]- 416.19845 207.6
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.