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]+ 383.24416 198.2
[M+Na]+ 405.22610 203.7
[M-H]- 381.22960 204.2
[M+NH4]+ 400.27070 206.0
[M+K]+ 421.20004 198.5
[M+H-H2O]+ 365.23414 185.3
[M+HCOO]- 427.23508 215.6
[M+CH3COO]- 441.25073 226.7
[M+Na-2H]- 403.21155 198.7
[M]+ 382.23633 199.5
[M]- 382.23743 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.