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]+ 314.105676 169.8
[M+Na]+ 336.087618 177.4
[M-H]- 312.091124 175.6
[M+NH4]+ 331.132223 185.5
[M+K]+ 352.061558 175.4
[M+H-H2O]+ 296.095660 163.4
[M+HCOO]- 358.096601 184.8
[M+CH3COO]- 372.112251 201.7
[M+Na-2H]- 334.073066 169.0
[M]+ 313.09785142 175.0
[M]- 313.09894858 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.