CID 71248

Taltrimide

Structural Information

Molecular Formula
C13H16N2O4S
SMILES
CC(C)NS(=O)(=O)CCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C13H16N2O4S/c1-9(2)14-20(18,19)8-7-15-12(16)10-5-3-4-6-11(10)13(15)17/h3-6,9,14H,7-8H2,1-2H3
InChIKey
NZKNHIQZWSVJGP-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

89
Patents

296.08307 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09035 165.6
[M+Na]+ 319.07229 174.1
[M-H]- 295.07579 169.1
[M+NH4]+ 314.11689 182.9
[M+K]+ 335.04623 170.8
[M+H-H2O]+ 279.08033 159.9
[M+HCOO]- 341.08127 181.5
[M+CH3COO]- 355.09692 202.2
[M+Na-2H]- 317.05774 167.5
[M]+ 296.08252 170.3
[M]- 296.08362 170.3
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.