CID 204868

Brn 0852111

Structural Information

Molecular Formula
C19H22ClN3O3
SMILES
C1CCN(CC1)C(=O)COC2=NN(C(=O)C=C2)C(CCl)C3=CC=CC=C3
InChI
InChI=1S/C19H22ClN3O3/c20-13-16(15-7-3-1-4-8-15)23-18(24)10-9-17(21-23)26-14-19(25)22-11-5-2-6-12-22/h1,3-4,7-10,16H,2,5-6,11-14H2
InChIKey
KVTJGEJLJBCIGQ-UHFFFAOYSA-N
Compound name
2-(2-chloro-1-phenylethyl)-6-(2-oxo-2-piperidin-1-ylethoxy)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.13498 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14226 186.1
[M+Na]+ 398.12420 190.8
[M-H]- 374.12770 190.2
[M+NH4]+ 393.16880 193.6
[M+K]+ 414.09814 185.2
[M+H-H2O]+ 358.13224 174.4
[M+HCOO]- 420.13318 195.9
[M+CH3COO]- 434.14883 213.6
[M+Na-2H]- 396.10965 187.0
[M]+ 375.13443 185.8
[M]- 375.13553 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.