CID 11820825

Benzaldehyde, 2-methyl-4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-, o-ethyloxime

Structural Information

Molecular Formula
C22H30N4O2
SMILES
CCO/N=C/C1=C(C=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C)C
InChI
InChI=1S/C22H30N4O2/c1-4-28-23-16-20-6-7-21(15-17(20)2)27-14-11-19-9-12-26(13-10-19)22-8-5-18(3)24-25-22/h5-8,15-16,19H,4,9-14H2,1-3H3/b23-16+
InChIKey
DXFZCLMZGCRNPW-XQNSMLJCSA-N
Compound name
(E)-N-ethoxy-1-[2-methyl-4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]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]+ 383.244156 197.4
[M+Na]+ 405.226098 202.0
[M-H]- 381.229604 203.0
[M+NH4]+ 400.270703 204.9
[M+K]+ 421.200038 196.7
[M+H-H2O]+ 365.234140 184.2
[M+HCOO]- 427.235081 214.8
[M+CH3COO]- 441.250731 225.5
[M+Na-2H]- 403.211546 198.6
[M]+ 382.23633142 198.2
[M]- 382.23742858 198.2
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.