CID 11820868

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

Structural Information

Molecular Formula
C21H28N4O2
SMILES
CCO/N=C/C1=CC(=CC=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C
InChI
InChI=1S/C21H28N4O2/c1-3-27-22-16-19-5-4-6-20(15-19)26-14-11-18-9-12-25(13-10-18)21-8-7-17(2)23-24-21/h4-8,15-16,18H,3,9-14H2,1-2H3/b22-16+
InChIKey
CTWZWAZKRQLQMX-CJLVFECKSA-N
Compound name
(E)-N-ethoxy-1-[3-[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

368.22122 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 192.2
[M+Na]+ 391.21044 196.2
[M-H]- 367.21394 197.5
[M+NH4]+ 386.25504 200.0
[M+K]+ 407.18438 191.2
[M+H-H2O]+ 351.21848 179.0
[M+HCOO]- 413.21942 210.0
[M+CH3COO]- 427.23507 221.3
[M+Na-2H]- 389.19589 194.8
[M]+ 368.22067 192.2
[M]- 368.22177 192.2
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.