CID 6534785

Benzaldehyde, 4-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]-, methylhydrazone

Structural Information

Molecular Formula
C19H24ClN5O
SMILES
CN/N=C\C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C19H24ClN5O/c1-21-22-14-16-2-4-17(5-3-16)26-13-10-15-8-11-25(12-9-15)19-7-6-18(20)23-24-19/h2-7,14-15,21H,8-13H2,1H3/b22-14-
InChIKey
DPBKFPPQSXISMH-HMAPJEAMSA-N
Compound name
N-[(Z)-[4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]methylideneamino]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.16693 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17421 190.0
[M+Na]+ 396.15615 194.9
[M-H]- 372.15965 195.3
[M+NH4]+ 391.20075 198.2
[M+K]+ 412.13009 188.2
[M+H-H2O]+ 356.16419 177.3
[M+HCOO]- 418.16513 204.7
[M+CH3COO]- 432.18078 221.9
[M+Na-2H]- 394.14160 193.7
[M]+ 373.16638 189.6
[M]- 373.16748 189.6
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

No patent data available for this compound.