CID 9579260

Chembl109201

Structural Information

Molecular Formula
C25H27ClN4O2
SMILES
C1CN(CCC1CCOC2=CC=C(C=C2)/C=N/OCC3=CC=CC=C3)C4=NN=C(C=C4)Cl
InChI
InChI=1S/C25H27ClN4O2/c26-24-10-11-25(29-28-24)30-15-12-20(13-16-30)14-17-31-23-8-6-21(7-9-23)18-27-32-19-22-4-2-1-3-5-22/h1-11,18,20H,12-17,19H2/b27-18+
InChIKey
WJSNFDWMECWHPM-OVVQPSECSA-N
Compound name
(E)-1-[4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-phenylmethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.18225 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.18953 209.9
[M+Na]+ 473.17147 213.8
[M-H]- 449.17497 217.3
[M+NH4]+ 468.21607 214.2
[M+K]+ 489.14541 206.0
[M+H-H2O]+ 433.17951 194.8
[M+HCOO]- 495.18045 222.5
[M+CH3COO]- 509.19610 216.1
[M+Na-2H]- 471.15692 212.1
[M]+ 450.18170 210.5
[M]- 450.18280 210.5
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.