CID 11820874

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

Structural Information

Molecular Formula
C23H32N4O2
SMILES
CCCO/N=C/C1=CC(=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C)C
InChI
InChI=1S/C23H32N4O2/c1-4-14-29-24-17-21-6-7-22(18(2)16-21)28-15-11-20-9-12-27(13-10-20)23-8-5-19(3)25-26-23/h5-8,16-17,20H,4,9-15H2,1-3H3/b24-17+
InChIKey
ZSGCPRLTOVBLGS-JJIBRWJFSA-N
Compound name
(E)-1-[3-methyl-4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-propoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.25253 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.25981 201.7
[M+Na]+ 419.24175 205.7
[M-H]- 395.24525 207.0
[M+NH4]+ 414.28635 208.6
[M+K]+ 435.21569 200.3
[M+H-H2O]+ 379.24979 188.3
[M+HCOO]- 441.25073 218.7
[M+CH3COO]- 455.26638 228.4
[M+Na-2H]- 417.22720 202.4
[M]+ 396.25198 202.8
[M]- 396.25308 202.8
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.