CID 11820909

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

Structural Information

Molecular Formula
C20H23ClN4O2
SMILES
C=CCO/N=C/C1=CC(=CC=C1)OCC2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C20H23ClN4O2/c1-2-12-27-22-14-17-4-3-5-18(13-17)26-15-16-8-10-25(11-9-16)20-7-6-19(21)23-24-20/h2-7,13-14,16H,1,8-12,15H2/b22-14+
InChIKey
SUWPJEAQNIUQLS-HYARGMPZSA-N
Compound name
(E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-prop-2-enoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.15094 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15822 193.1
[M+Na]+ 409.14016 198.5
[M-H]- 385.14366 198.2
[M+NH4]+ 404.18476 200.8
[M+K]+ 425.11410 191.6
[M+H-H2O]+ 369.14820 180.2
[M+HCOO]- 431.14914 206.7
[M+CH3COO]- 445.16479 221.2
[M+Na-2H]- 407.12561 195.6
[M]+ 386.15039 194.2
[M]- 386.15149 194.2
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.