CID 11820814

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

Structural Information

Molecular Formula
C22H30N4O2
SMILES
CCO/N=C/C1=CC(=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(17(2)15-20)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
RIPMPOJPTWMBHM-XQNSMLJCSA-N
Compound name
(E)-N-ethoxy-1-[3-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]+ 383.24416 197.4
[M+Na]+ 405.22610 202.0
[M-H]- 381.22960 203.0
[M+NH4]+ 400.27070 204.9
[M+K]+ 421.20004 196.7
[M+H-H2O]+ 365.23414 184.2
[M+HCOO]- 427.23508 214.8
[M+CH3COO]- 441.25073 225.5
[M+Na-2H]- 403.21155 198.6
[M]+ 382.23633 198.2
[M]- 382.23743 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.