CID 9579253

Chembl108866

Structural Information

Molecular Formula
C22H30N4O2
SMILES
CCO/N=C(\C)/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C
InChI
InChI=1S/C22H30N4O2/c1-4-28-25-18(3)20-6-8-21(9-7-20)27-16-13-19-11-14-26(15-12-19)22-10-5-17(2)23-24-22/h5-10,19H,4,11-16H2,1-3H3/b25-18+
InChIKey
ZJBUCBMFSDKTIK-XIEYBQDHSA-N
Compound name
(E)-N-ethoxy-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

1
Patents

382.23688 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.24416 196.5
[M+Na]+ 405.22610 199.8
[M-H]- 381.22960 201.8
[M+NH4]+ 400.27070 203.6
[M+K]+ 421.20004 195.1
[M+H-H2O]+ 365.23414 183.3
[M+HCOO]- 427.23508 213.0
[M+CH3COO]- 441.25073 225.1
[M+Na-2H]- 403.21155 197.5
[M]+ 382.23633 196.3
[M]- 382.23743 196.3
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

patents stripe