CID 11820879

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

Structural Information

Molecular Formula
C18H21ClN4O2
SMILES
CO/N=C/C1=CC(=CC=C1)OCC2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C18H21ClN4O2/c1-24-20-12-15-3-2-4-16(11-15)25-13-14-7-9-23(10-8-14)18-6-5-17(19)21-22-18/h2-6,11-12,14H,7-10,13H2,1H3/b20-12+
InChIKey
FWUOOJUCYOSOIF-UDWIEESQSA-N
Compound name
(E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1353 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14258 185.2
[M+Na]+ 383.12452 191.2
[M-H]- 359.12802 190.7
[M+NH4]+ 378.16912 194.1
[M+K]+ 399.09846 185.4
[M+H-H2O]+ 343.13256 172.7
[M+HCOO]- 405.13350 199.3
[M+CH3COO]- 419.14915 216.1
[M+Na-2H]- 381.10997 188.7
[M]+ 360.13475 186.4
[M]- 360.13585 186.4
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.