CID 11820843

1-[4-[2-[1-(6-chloro-5-methyl-pyridazin-3-yl)-4-piperidyl]ethoxy]phenyl]-n-ethoxy-methanimine

Structural Information

Molecular Formula
C21H27ClN4O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C(=C3)C)Cl
InChI
InChI=1S/C21H27ClN4O2/c1-3-28-23-15-18-4-6-19(7-5-18)27-13-10-17-8-11-26(12-9-17)20-14-16(2)21(22)25-24-20/h4-7,14-15,17H,3,8-13H2,1-2H3/b23-15+
InChIKey
DSDYFIIEODTBFE-HZHRSRAPSA-N
Compound name
(E)-1-[4-[2-[1-(6-chloro-5-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.18225 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.18953 199.0
[M+Na]+ 425.17147 204.7
[M-H]- 401.17497 204.4
[M+NH4]+ 420.21607 206.6
[M+K]+ 441.14541 198.2
[M+H-H2O]+ 385.17951 186.2
[M+HCOO]- 447.18045 212.1
[M+CH3COO]- 461.19610 226.0
[M+Na-2H]- 423.15692 200.2
[M]+ 402.18170 201.6
[M]- 402.18280 201.6
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.