CID 11820880

Benzaldehyde, 4-[2-[1-(6-methoxy-3-pyridazinyl)-4-piperidinyl]ethoxy]-, o-2-propenyloxime

Structural Information

Molecular Formula
C22H28N4O3
SMILES
COC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC=C(C=C3)/C=N/OCC=C
InChI
InChI=1S/C22H28N4O3/c1-3-15-29-23-17-19-4-6-20(7-5-19)28-16-12-18-10-13-26(14-11-18)21-8-9-22(27-2)25-24-21/h3-9,17-18H,1,10-16H2,2H3/b23-17+
InChIKey
OGWPCKRDCFPAHZ-HAVVHWLPSA-N
Compound name
(E)-1-[4-[2-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-prop-2-enoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.21616 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.223436 198.0
[M+Na]+ 419.205378 201.6
[M-H]- 395.208884 203.1
[M+NH4]+ 414.249983 204.3
[M+K]+ 435.179318 196.4
[M+H-H2O]+ 379.213420 184.4
[M+HCOO]- 441.214361 215.7
[M+CH3COO]- 455.230011 225.7
[M+Na-2H]- 417.190826 200.1
[M]+ 396.21561142 199.0
[M]- 396.21670858 199.0
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.