CID 9579255

Chembl110163

Structural Information

Molecular Formula
C21H28N4O2
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC=C(C=C3)/C(=N/OC)/C
InChI
InChI=1S/C21H28N4O2/c1-16-4-9-21(23-22-16)25-13-10-18(11-14-25)12-15-27-20-7-5-19(6-8-20)17(2)24-26-3/h4-9,18H,10-15H2,1-3H3/b24-17+
InChIKey
DDFRDFIDPYAMQZ-JJIBRWJFSA-N
Compound name
(E)-N-methoxy-1-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.22122 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 192.2
[M+Na]+ 391.21044 196.0
[M-H]- 367.21394 197.7
[M+NH4]+ 386.25504 199.9
[M+K]+ 407.18438 191.5
[M+H-H2O]+ 351.21848 179.3
[M+HCOO]- 413.21942 209.0
[M+CH3COO]- 427.23507 222.2
[M+Na-2H]- 389.19589 193.7
[M]+ 368.22067 191.7
[M]- 368.22177 191.7
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.