CID 14825941

Dysidamide f

Structural Information

Molecular Formula
C10H16Cl3NO2
SMILES
C[C@@H](C[C@H]1[C@H](C(C(=O)N1)(C)C)O)C(Cl)(Cl)Cl
InChI
InChI=1S/C10H16Cl3NO2/c1-5(10(11,12)13)4-6-7(15)9(2,3)8(16)14-6/h5-7,15H,4H2,1-3H3,(H,14,16)/t5-,6-,7+/m0/s1
InChIKey
WXVMITZTZFBSBV-LYFYHCNISA-N
Compound name
(4S,5S)-4-hydroxy-3,3-dimethyl-5-[(2S)-3,3,3-trichloro-2-methylpropyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.02466 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03194 158.8
[M+Na]+ 310.01388 167.6
[M-H]- 286.01738 157.3
[M+NH4]+ 305.05848 177.3
[M+K]+ 325.98782 161.4
[M+H-H2O]+ 270.02192 157.2
[M+HCOO]- 332.02286 159.8
[M+CH3COO]- 346.03851 193.2
[M+Na-2H]- 307.99933 158.3
[M]+ 287.02411 158.5
[M]- 287.02521 158.5
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.