CID 11820862

1-[4-[2-[1-(6-chloropyridazin-3-yl)-4-piperidyl]ethoxy]phenyl]-n-ethoxy-propan-1-imine

Structural Information

Molecular Formula
C22H29ClN4O2
SMILES
CC/C(=N\OCC)/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C22H29ClN4O2/c1-3-20(26-29-4-2)18-5-7-19(8-6-18)28-16-13-17-11-14-27(15-12-17)22-10-9-21(23)24-25-22/h5-10,17H,3-4,11-16H2,1-2H3/b26-20+
InChIKey
GOQMXQPCPVEAPN-LHLOQNFPSA-N
Compound name
(E)-1-[4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxypropan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1979 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20518 202.1
[M+Na]+ 439.18712 206.0
[M-H]- 415.19062 207.0
[M+NH4]+ 434.23172 208.6
[M+K]+ 455.16106 199.9
[M+H-H2O]+ 399.19516 189.0
[M+HCOO]- 461.19610 213.8
[M+CH3COO]- 475.21175 228.5
[M+Na-2H]- 437.17257 202.5
[M]+ 416.19735 204.1
[M]- 416.19845 204.1
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.