CID 11820897

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

Structural Information

Molecular Formula
C22H28N4O2
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC=C(C=C3)/C=N/OCC=C
InChI
InChI=1S/C22H28N4O2/c1-3-15-28-23-17-20-5-7-21(8-6-20)27-16-12-19-10-13-26(14-11-19)22-9-4-18(2)24-25-22/h3-9,17,19H,1,10-16H2,2H3/b23-17+
InChIKey
NQERCXQICWGFJL-HAVVHWLPSA-N
Compound name
(E)-1-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-prop-2-enoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.22122 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.22850 195.5
[M+Na]+ 403.21044 199.4
[M-H]- 379.21394 200.7
[M+NH4]+ 398.25504 202.7
[M+K]+ 419.18438 193.5
[M+H-H2O]+ 363.21848 182.2
[M+HCOO]- 425.21942 213.1
[M+CH3COO]- 439.23507 223.6
[M+Na-2H]- 401.19589 197.6
[M]+ 380.22067 195.2
[M]- 380.22177 195.2
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.