CID 11820863

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

Structural Information

Molecular Formula
C20H24ClN5O4
SMILES
CCO/N=C/C1=CC(=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C20H24ClN5O4/c1-2-30-22-14-16-3-4-18(17(13-16)26(27)28)29-12-9-15-7-10-25(11-8-15)20-6-5-19(21)23-24-20/h3-6,13-15H,2,7-12H2,1H3/b22-14+
InChIKey
JZXLWFOMWOBPKA-HYARGMPZSA-N
Compound name
(E)-1-[4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]-3-nitrophenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.15167 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.15895 202.8
[M+Na]+ 456.14089 206.0
[M-H]- 432.14439 208.2
[M+NH4]+ 451.18549 207.6
[M+K]+ 472.11483 196.7
[M+H-H2O]+ 416.14893 194.4
[M+HCOO]- 478.14987 217.0
[M+CH3COO]- 492.16552 224.8
[M+Na-2H]- 454.12634 206.9
[M]+ 433.15112 203.4
[M]- 433.15222 203.4
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.