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]+ 345.07674 175.9
[M+Na]+ 367.05868 182.6
[M-H]- 343.06218 178.7
[M+NH4]+ 362.10328 188.9
[M+K]+ 383.03262 176.9
[M+H-H2O]+ 327.06672 168.8
[M+HCOO]- 389.06766 178.4
[M+CH3COO]- 403.08331 184.3
[M+Na-2H]- 365.04413 175.1
[M]+ 344.06891 172.9
[M]- 344.07001 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.