CID 11820830

1-[2,3-dimethyl-4-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]phenyl]-n-methoxy-methanimine

Structural Information

Molecular Formula
C22H30N4O2
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=C(C(=C(C=C3)/C=N/OC)C)C
InChI
InChI=1S/C22H30N4O2/c1-16-5-8-22(25-24-16)26-12-9-19(10-13-26)11-14-28-21-7-6-20(15-23-27-4)17(2)18(21)3/h5-8,15,19H,9-14H2,1-4H3/b23-15+
InChIKey
MCLZWRJAFYKXDB-HZHRSRAPSA-N
Compound name
(E)-1-[2,3-dimethyl-4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.23688 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.244156 198.2
[M+Na]+ 405.226098 203.7
[M-H]- 381.229604 204.2
[M+NH4]+ 400.270703 206.0
[M+K]+ 421.200038 198.5
[M+H-H2O]+ 365.234140 185.3
[M+HCOO]- 427.235081 215.6
[M+CH3COO]- 441.250731 226.7
[M+Na-2H]- 403.211546 198.7
[M]+ 382.23633142 199.5
[M]- 382.23742858 199.5
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.