CID 3061596

Brn 5598422

Structural Information

Molecular Formula
C13H14N2O4S
SMILES
CC(=O)N1C2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)C13CC3
InChI
InChI=1S/C13H14N2O4S/c1-8(16)15-11-4-3-9(14-20(2,18)19)7-10(11)12(17)13(15)5-6-13/h3-4,7,14H,5-6H2,1-2H3
InChIKey
MVPFTONHLOGLAZ-UHFFFAOYSA-N
Compound name
N-(1'-acetyl-3'-oxospiro[cyclopropane-1,2'-indole]-5'-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0674 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07468 170.0
[M+Na]+ 317.05662 180.8
[M+NH4]+ 312.10122 178.3
[M+K]+ 333.03056 176.0
[M-H]- 293.06012 177.2
[M+Na-2H]- 315.04207 176.3
[M]+ 294.06685 175.1
[M]- 294.06795 175.1
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

No patent data available for this compound.