CID 132473040

Dl2

Structural Information

Molecular Formula
C18H17ClN2O4
SMILES
C1CN(CCC12OC3=CC=CC=C3O2)C(=O)CC4=CC=C(C(=O)N4)Cl
InChI
InChI=1S/C18H17ClN2O4/c19-13-6-5-12(20-17(13)23)11-16(22)21-9-7-18(8-10-21)24-14-3-1-2-4-15(14)25-18/h1-6H,7-11H2,(H,20,23)
InChIKey
GWYSYYWLVBSUGM-UHFFFAOYSA-N
Compound name
3-chloro-6-(2-oxo-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-ylethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.08768 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09496 181.6
[M+Na]+ 383.07690 189.9
[M-H]- 359.08040 188.3
[M+NH4]+ 378.12150 193.6
[M+K]+ 399.05084 185.9
[M+H-H2O]+ 343.08494 172.9
[M+HCOO]- 405.08588 190.1
[M+CH3COO]- 419.10153 191.2
[M+Na-2H]- 381.06235 184.3
[M]+ 360.08713 181.8
[M]- 360.08823 181.8
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.