CID 11820826

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

Structural Information

Molecular Formula
C21H28N4O2
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC(=C(C=C3)/C=N/OC)C
InChI
InChI=1S/C21H28N4O2/c1-16-14-20(6-5-19(16)15-22-26-3)27-13-10-18-8-11-25(12-9-18)21-7-4-17(2)23-24-21/h4-7,14-15,18H,8-13H2,1-3H3/b22-15+
InChIKey
VIYVWEAUXBTGKW-PXLXIMEGSA-N
Compound name
(E)-N-methoxy-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

368.22122 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 193.1
[M+Na]+ 391.21044 198.1
[M-H]- 367.21394 198.9
[M+NH4]+ 386.25504 201.2
[M+K]+ 407.18438 193.1
[M+H-H2O]+ 351.21848 180.2
[M+HCOO]- 413.21942 210.9
[M+CH3COO]- 427.23507 222.6
[M+Na-2H]- 389.19589 194.9
[M]+ 368.22067 193.6
[M]- 368.22177 193.6
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.