CID 11820845

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

Structural Information

Molecular Formula
C23H31ClN4O4
SMILES
CCO/N=C(\C)/C1=CC(=C(C(=C1)OC)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl)OC
InChI
InChI=1S/C23H31ClN4O4/c1-5-32-27-16(2)18-14-19(29-3)23(20(15-18)30-4)31-13-10-17-8-11-28(12-9-17)22-7-6-21(24)25-26-22/h6-7,14-15,17H,5,8-13H2,1-4H3/b27-16+
InChIKey
ATWMYYYRCOYNOB-JVWAILMASA-N
Compound name
(E)-1-[4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]-3,5-dimethoxyphenyl]-N-ethoxyethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.20337 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21065 212.0
[M+Na]+ 485.19259 216.9
[M-H]- 461.19609 217.7
[M+NH4]+ 480.23719 217.1
[M+K]+ 501.16653 212.2
[M+H-H2O]+ 445.20063 199.1
[M+HCOO]- 507.20157 223.8
[M+CH3COO]- 521.21722 238.1
[M+Na-2H]- 483.17804 210.9
[M]+ 462.20282 218.0
[M]- 462.20392 218.0
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.