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 165.0
[M+Na]+ 317.05662 176.3
[M-H]- 293.06012 171.3
[M+NH4]+ 312.10122 179.8
[M+K]+ 333.03056 171.8
[M+H-H2O]+ 277.06466 160.7
[M+HCOO]- 339.06560 180.3
[M+CH3COO]- 353.08125 202.4
[M+Na-2H]- 315.04207 169.1
[M]+ 294.06685 171.9
[M]- 294.06795 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.