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]+ 295.074676 165.0
[M+Na]+ 317.056618 176.3
[M-H]- 293.060124 171.3
[M+NH4]+ 312.101223 179.8
[M+K]+ 333.030558 171.8
[M+H-H2O]+ 277.064660 160.7
[M+HCOO]- 339.065601 180.3
[M+CH3COO]- 353.081251 202.4
[M+Na-2H]- 315.042066 169.1
[M]+ 294.06685142 171.9
[M]- 294.06794858 171.9
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.