CID 3086727

Brn 4757090

Structural Information

Molecular Formula
C12H16N2O4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H16N2O4S/c1-2-18-12-8-7-11(15)14(12)19(16,17)10-5-3-9(13)4-6-10/h3-6,12H,2,7-8,13H2,1H3
InChIKey
IIUICGLUNGGCNS-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)sulfonyl-5-ethoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

284.08307 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09035 162.7
[M+Na]+ 307.07229 170.8
[M-H]- 283.07579 168.1
[M+NH4]+ 302.11689 179.0
[M+K]+ 323.04623 167.4
[M+H-H2O]+ 267.08033 156.1
[M+HCOO]- 329.08127 179.4
[M+CH3COO]- 343.09692 197.2
[M+Na-2H]- 305.05774 163.2
[M]+ 284.08252 164.4
[M]- 284.08362 164.4
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