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]+ 399.23906 199.9
[M+Na]+ 421.22100 204.2
[M-H]- 397.22450 205.5
[M+NH4]+ 416.26560 206.6
[M+K]+ 437.19494 199.7
[M+H-H2O]+ 381.22904 186.5
[M+HCOO]- 443.22998 217.5
[M+CH3COO]- 457.24563 227.6
[M+Na-2H]- 419.20645 201.3
[M]+ 398.23123 202.1
[M]- 398.23233 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.