CID 11820904

N-ethoxy-1-[4-[3-(1-pyridazin-3-yl-4-piperidyl)propoxy]phenyl]methanimine

Structural Information

Molecular Formula
C21H28N4O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCCC2CCN(CC2)C3=NN=CC=C3
InChI
InChI=1S/C21H28N4O2/c1-2-27-23-17-19-7-9-20(10-8-19)26-16-4-5-18-11-14-25(15-12-18)21-6-3-13-22-24-21/h3,6-10,13,17-18H,2,4-5,11-12,14-16H2,1H3/b23-17+
InChIKey
VDXGAKDXAAZYQT-HAVVHWLPSA-N
Compound name
(E)-N-ethoxy-1-[4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.22122 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 191.2
[M+Na]+ 391.21044 194.2
[M-H]- 367.21394 196.0
[M+NH4]+ 386.25504 198.6
[M+K]+ 407.18438 189.1
[M+H-H2O]+ 351.21848 177.7
[M+HCOO]- 413.21942 208.9
[M+CH3COO]- 427.23507 220.1
[M+Na-2H]- 389.19589 194.5
[M]+ 368.22067 190.7
[M]- 368.22177 190.7
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.