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 170.8
[M+Na]+ 336.08762 180.0
[M+NH4]+ 331.13222 176.4
[M+K]+ 352.06156 176.3
[M-H]- 312.09112 170.9
[M+Na-2H]- 334.07307 174.0
[M]+ 313.09785 172.3
[M]- 313.09895 172.3
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.