CID 11820896

1-[4-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]phenyl]-n-propoxy-methanimine

Structural Information

Molecular Formula
C22H30N4O2
SMILES
CCCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C
InChI
InChI=1S/C22H30N4O2/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/h4-9,17,19H,3,10-16H2,1-2H3/b23-17+
InChIKey
PFZVOTJFHMVRGP-HAVVHWLPSA-N
Compound name
(E)-1-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-propoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.23688 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.244156 196.5
[M+Na]+ 405.226098 200.0
[M-H]- 381.229604 201.6
[M+NH4]+ 400.270703 203.6
[M+K]+ 421.200038 194.7
[M+H-H2O]+ 365.234140 183.0
[M+HCOO]- 427.235081 213.9
[M+CH3COO]- 441.250731 224.3
[M+Na-2H]- 403.211546 198.5
[M]+ 382.23633142 196.8
[M]- 382.23742858 196.8
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.