CID 11820813

1-[4-[2-[1-(6-chloropyridazin-3-yl)-4-piperidyl]ethoxy]-3-methyl-phenyl]-n-methoxy-methanimine

Structural Information

Molecular Formula
C20H25ClN4O2
SMILES
CC1=C(C=CC(=C1)/C=N/OC)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C20H25ClN4O2/c1-15-13-17(14-22-26-2)3-4-18(15)27-12-9-16-7-10-25(11-8-16)20-6-5-19(21)23-24-20/h3-6,13-14,16H,7-12H2,1-2H3/b22-14+
InChIKey
WCHKRUZUXKXHKT-HYARGMPZSA-N
Compound name
(E)-1-[4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]-3-methylphenyl]-N-methoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1666 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17388 194.7
[M+Na]+ 411.15582 200.8
[M-H]- 387.15932 200.3
[M+NH4]+ 406.20042 202.9
[M+K]+ 427.12976 194.6
[M+H-H2O]+ 371.16386 182.1
[M+HCOO]- 433.16480 208.1
[M+CH3COO]- 447.18045 223.1
[M+Na-2H]- 409.14127 196.5
[M]+ 388.16605 197.0
[M]- 388.16715 197.0
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.