CID 11820822

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

Structural Information

Molecular Formula
C23H32N4O2
SMILES
CCO/N=C/C1=C(C=C(C=C1C)OCCC2CCN(CC2)C3=NN=C(C=C3)C)C
InChI
InChI=1S/C23H32N4O2/c1-5-29-24-16-22-17(2)14-21(15-18(22)3)28-13-10-20-8-11-27(12-9-20)23-7-6-19(4)25-26-23/h6-7,14-16,20H,5,8-13H2,1-4H3/b24-16+
InChIKey
WZMOQVXQXUQSFF-LFVJCYFKSA-N
Compound name
(E)-1-[2,6-dimethyl-4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.25253 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.25981 202.5
[M+Na]+ 419.24175 207.5
[M-H]- 395.24525 208.3
[M+NH4]+ 414.28635 209.7
[M+K]+ 435.21569 202.1
[M+H-H2O]+ 379.24979 189.4
[M+HCOO]- 441.25073 219.6
[M+CH3COO]- 455.26638 229.6
[M+Na-2H]- 417.22720 202.4
[M]+ 396.25198 204.1
[M]- 396.25308 204.1
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.