CID 510211

Chembl107613

Structural Information

Molecular Formula
C21H27ClN4O
SMILES
CCCN=CC1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C21H27ClN4O/c1-2-12-23-16-18-3-5-19(6-4-18)27-15-11-17-9-13-26(14-10-17)21-8-7-20(22)24-25-21/h3-8,16-17H,2,9-15H2,1H3
InChIKey
KGPJVKSLYMFIFL-UHFFFAOYSA-N
Compound name
1-[4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-propylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.18735 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.19463 195.7
[M+Na]+ 409.17657 200.6
[M-H]- 385.18007 200.6
[M+NH4]+ 404.22117 203.7
[M+K]+ 425.15051 193.4
[M+H-H2O]+ 369.18461 182.7
[M+HCOO]- 431.18555 208.6
[M+CH3COO]- 445.20120 222.7
[M+Na-2H]- 407.16202 197.6
[M]+ 386.18680 196.5
[M]- 386.18790 196.5
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.