CID 343515

Nsc382976

Structural Information

Molecular Formula
C16H14N2O5S
SMILES
CN(C)C1=CC2=C(C=C1)C(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O5S/c1-17(2)11-8-9-13-14(10-11)16(20)18(15(13)19)23-24(21,22)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKey
ZFUPYILRFVCJEA-UHFFFAOYSA-N
Compound name
[5-(dimethylamino)-1,3-dioxoisoindol-2-yl] benzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.06235 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06963 176.7
[M+Na]+ 369.05157 186.3
[M-H]- 345.05507 185.3
[M+NH4]+ 364.09617 192.3
[M+K]+ 385.02551 183.4
[M+H-H2O]+ 329.05961 169.6
[M+HCOO]- 391.06055 194.8
[M+CH3COO]- 405.07620 213.0
[M+Na-2H]- 367.03702 179.6
[M]+ 346.06180 183.6
[M]- 346.06290 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.