CID 6450621

2-pyrrolidinone, 1-((2-(4-methoxyphenyl)ethenyl)sulfonyl)-5-(1-methylethoxy)-

Structural Information

Molecular Formula
C16H21NO5S
SMILES
CC(C)OC1CCC(=O)N1S(=O)(=O)/C=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H21NO5S/c1-12(2)22-16-9-8-15(18)17(16)23(19,20)11-10-13-4-6-14(21-3)7-5-13/h4-7,10-12,16H,8-9H2,1-3H3/b11-10+
InChIKey
MJASDBVCPSZISI-ZHACJKMWSA-N
Compound name
1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.11404 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12132 178.1
[M+Na]+ 362.10326 185.1
[M-H]- 338.10676 183.5
[M+NH4]+ 357.14786 192.6
[M+K]+ 378.07720 182.0
[M+H-H2O]+ 322.11130 171.4
[M+HCOO]- 384.11224 192.5
[M+CH3COO]- 398.12789 206.1
[M+Na-2H]- 360.08871 176.3
[M]+ 339.11349 183.1
[M]- 339.11459 183.1
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

patents stripe