CID 3086724

Brn 4759024

Structural Information

Molecular Formula
C14H19NO5S
SMILES
CC(C)OC1CCC(=O)N1S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C14H19NO5S/c1-10(2)20-14-9-8-13(16)15(14)21(17,18)12-6-4-11(19-3)5-7-12/h4-7,10,14H,8-9H2,1-3H3
InChIKey
DQSAFTXTCMZTMG-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0984 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10568 169.8
[M+Na]+ 336.08762 177.4
[M-H]- 312.09112 175.6
[M+NH4]+ 331.13222 185.5
[M+K]+ 352.06156 175.4
[M+H-H2O]+ 296.09566 163.4
[M+HCOO]- 358.09660 184.8
[M+CH3COO]- 372.11225 201.7
[M+Na-2H]- 334.07307 169.0
[M]+ 313.09785 175.0
[M]- 313.09895 175.0
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.