CID 11820907

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

Structural Information

Molecular Formula
C20H25ClN4O2
SMILES
CO/N=C/C1=CC(=CC=C1)OCCCC2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C20H25ClN4O2/c1-26-22-15-17-4-2-6-18(14-17)27-13-3-5-16-9-11-25(12-10-16)20-8-7-19(21)23-24-20/h2,4,6-8,14-16H,3,5,9-13H2,1H3/b22-15+
InChIKey
YGOIRJCPYXJYLV-PXLXIMEGSA-N
Compound name
(E)-1-[3-[3-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]propoxy]phenyl]-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 193.8
[M+Na]+ 411.15582 198.9
[M-H]- 387.15932 198.9
[M+NH4]+ 406.20042 201.6
[M+K]+ 427.12976 192.7
[M+H-H2O]+ 371.16386 180.9
[M+HCOO]- 433.16480 207.2
[M+CH3COO]- 447.18045 221.9
[M+Na-2H]- 409.14127 196.3
[M]+ 388.16605 195.6
[M]- 388.16715 195.6
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.