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]+ 347.06963 177.4
[M+Na]+ 369.05157 185.2
[M-H]- 345.05507 188.0
[M+NH4]+ 364.09617 191.2
[M+K]+ 385.02551 184.2
[M+H-H2O]+ 329.05961 170.8
[M+HCOO]- 391.06055 196.4
[M+CH3COO]- 405.07620 212.3
[M+Na-2H]- 367.03702 183.5
[M]+ 346.06180 183.2
[M]- 346.06290 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.