CID 11820824

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

Structural Information

Molecular Formula
C22H30N4O3
SMILES
CCO/N=C/C1=C(C=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C)OC
InChI
InChI=1S/C22H30N4O3/c1-4-29-23-16-19-6-7-20(15-21(19)27-3)28-14-11-18-9-12-26(13-10-18)22-8-5-17(2)24-25-22/h5-8,15-16,18H,4,9-14H2,1-3H3/b23-16+
InChIKey
DNYOAKLGGUYEFR-XQNSMLJCSA-N
Compound name
(E)-N-ethoxy-1-[2-methoxy-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

398.23178 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.239056 199.9
[M+Na]+ 421.220998 204.2
[M-H]- 397.224504 205.5
[M+NH4]+ 416.265603 206.6
[M+K]+ 437.194938 199.7
[M+H-H2O]+ 381.229040 186.5
[M+HCOO]- 443.229981 217.5
[M+CH3COO]- 457.245631 227.6
[M+Na-2H]- 419.206446 201.3
[M]+ 398.23123142 202.1
[M]- 398.23232858 202.1
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.