CID 11820901

Benzaldehyde, 4-[3-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]propoxy]-, o-ethyloxime

Structural Information

Molecular Formula
C22H30N4O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCCC2CCN(CC2)C3=NN=C(C=C3)C
InChI
InChI=1S/C22H30N4O2/c1-3-28-23-17-20-7-9-21(10-8-20)27-16-4-5-19-12-14-26(15-13-19)22-11-6-18(2)24-25-22/h6-11,17,19H,3-5,12-16H2,1-2H3/b23-17+
InChIKey
XOJKAQWXUKRUNR-HAVVHWLPSA-N
Compound name
(E)-N-ethoxy-1-[4-[3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.23688 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.24416 196.5
[M+Na]+ 405.22610 200.0
[M-H]- 381.22960 201.6
[M+NH4]+ 400.27070 203.6
[M+K]+ 421.20004 194.7
[M+H-H2O]+ 365.23414 183.0
[M+HCOO]- 427.23508 213.9
[M+CH3COO]- 441.25073 224.3
[M+Na-2H]- 403.21155 198.5
[M]+ 382.23633 196.8
[M]- 382.23743 196.8
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.