CID 510209

Ethyl 4-[2-[1-(6-chloropyridazin-3-yl)-4-piperidyl]ethoxy]benzenecarboximidate

Structural Information

Molecular Formula
C20H25ClN4O2
SMILES
CCOC(=N)C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C20H25ClN4O2/c1-2-26-20(22)16-3-5-17(6-4-16)27-14-11-15-9-12-25(13-10-15)19-8-7-18(21)23-24-19/h3-8,15,22H,2,9-14H2,1H3
InChIKey
PVCQFHLLMDKVFQ-UHFFFAOYSA-N
Compound name
ethyl 4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]benzenecarboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.1666 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17388 193.2
[M+Na]+ 411.15582 197.6
[M-H]- 387.15932 197.2
[M+NH4]+ 406.20042 200.3
[M+K]+ 427.12976 191.2
[M+H-H2O]+ 371.16386 181.1
[M+HCOO]- 433.16480 204.3
[M+CH3COO]- 447.18045 220.4
[M+Na-2H]- 409.14127 194.4
[M]+ 388.16605 192.8
[M]- 388.16715 192.8
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.