CID 308400

Nsc209917

Structural Information

Molecular Formula
C16H14N2O5S
SMILES
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H14N2O5S/c1-11(19)18-24(20,21)14-5-3-13(4-6-14)17-9-12-2-7-15-16(8-12)23-10-22-15/h2-9H,10H2,1H3,(H,18,19)
InChIKey
FRTAJXFWMBFUTP-UHFFFAOYSA-N
Compound name
N-[4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.06235 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.069626 177.4
[M+Na]+ 369.051568 185.2
[M-H]- 345.055074 188.0
[M+NH4]+ 364.096173 191.2
[M+K]+ 385.025508 184.2
[M+H-H2O]+ 329.059610 170.8
[M+HCOO]- 391.060551 196.4
[M+CH3COO]- 405.076201 212.3
[M+Na-2H]- 367.037016 183.5
[M]+ 346.06180142 183.2
[M]- 346.06289858 183.2
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.