CID 510206

124437-50-9

Structural Information

Molecular Formula
C18H20ClN3O2
SMILES
C1CN(CCC1CCOC2=CC=C(C=C2)C=O)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C18H20ClN3O2/c19-17-5-6-18(21-20-17)22-10-7-14(8-11-22)9-12-24-16-3-1-15(13-23)2-4-16/h1-6,13-14H,7-12H2
InChIKey
ZLKXCFJTGDNRLO-UHFFFAOYSA-N
Compound name
4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

345.1244 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13168 181.5
[M+Na]+ 368.11362 187.9
[M-H]- 344.11712 185.7
[M+NH4]+ 363.15822 190.6
[M+K]+ 384.08756 181.3
[M+H-H2O]+ 328.12166 169.6
[M+HCOO]- 390.12260 193.0
[M+CH3COO]- 404.13825 190.0
[M+Na-2H]- 366.09907 184.0
[M]+ 345.12385 181.5
[M]- 345.12495 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe