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]+ 397.22344 198.0
[M+Na]+ 419.20538 201.6
[M-H]- 395.20888 203.1
[M+NH4]+ 414.24998 204.3
[M+K]+ 435.17932 196.4
[M+H-H2O]+ 379.21342 184.4
[M+HCOO]- 441.21436 215.7
[M+CH3COO]- 455.23001 225.7
[M+Na-2H]- 417.19083 200.1
[M]+ 396.21561 199.0
[M]- 396.21671 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.