CID 9579252

Bta-188

Structural Information

Molecular Formula
C21H28N4O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C
InChI
InChI=1S/C21H28N4O2/c1-3-27-22-16-19-5-7-20(8-6-19)26-15-12-18-10-13-25(14-11-18)21-9-4-17(2)23-24-21/h4-9,16,18H,3,10-15H2,1-2H3/b22-16+
InChIKey
LNKHWGSSSPTTHB-CJLVFECKSA-N
Compound name
(E)-N-ethoxy-1-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

368.22122 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 192.6
[M+Na]+ 391.21044 206.0
[M+NH4]+ 386.25504 198.9
[M+K]+ 407.18438 197.2
[M-H]- 367.21394 197.8
[M+Na-2H]- 389.19589 201.0
[M]+ 368.22067 195.9
[M]- 368.22177 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.