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]+ 340.121316 178.1
[M+Na]+ 362.103258 185.1
[M-H]- 338.106764 183.5
[M+NH4]+ 357.147863 192.6
[M+K]+ 378.077198 182.0
[M+H-H2O]+ 322.111300 171.4
[M+HCOO]- 384.112241 192.5
[M+CH3COO]- 398.127891 206.1
[M+Na-2H]- 360.088706 176.3
[M]+ 339.11349142 183.1
[M]- 339.11458858 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