CID 212031

23804-91-3

Structural Information

Molecular Formula
C15H18Cl2N2O3
SMILES
C1CN(CCC12CNC(=O)O2)CC(C3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C15H18Cl2N2O3/c16-11-2-1-10(7-12(11)17)13(20)8-19-5-3-15(4-6-19)9-18-14(21)22-15/h1-2,7,13,20H,3-6,8-9H2,(H,18,21)
InChIKey
PWTQJMATXASIHZ-UHFFFAOYSA-N
Compound name
8-[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.06946 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.076736 175.9
[M+Na]+ 367.058678 182.6
[M-H]- 343.062184 178.7
[M+NH4]+ 362.103283 188.9
[M+K]+ 383.032618 176.9
[M+H-H2O]+ 327.066720 168.8
[M+HCOO]- 389.067661 178.4
[M+CH3COO]- 403.083311 184.3
[M+Na-2H]- 365.044126 175.1
[M]+ 344.06891142 172.9
[M]- 344.07000858 172.9
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.