CID 9568099

Nsc 18082

Structural Information

Molecular Formula
C14H17N3O5S
SMILES
C/C(=N\NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C)/C2CCOC2=O
InChI
InChI=1S/C14H17N3O5S/c1-9(13-7-8-22-14(13)19)16-17-23(20,21)12-5-3-11(4-6-12)15-10(2)18/h3-6,13,17H,7-8H2,1-2H3,(H,15,18)/b16-9+
InChIKey
YHOQIKKFTVFVOM-CXUHLZMHSA-N
Compound name
N-[4-[[(E)-1-(2-oxooxolan-3-yl)ethylideneamino]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0889 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09618 176.4
[M+Na]+ 362.07812 181.1
[M-H]- 338.08162 184.9
[M+NH4]+ 357.12272 190.0
[M+K]+ 378.05206 180.0
[M+H-H2O]+ 322.08616 169.1
[M+HCOO]- 384.08710 195.4
[M+CH3COO]- 398.10275 214.0
[M+Na-2H]- 360.06357 178.5
[M]+ 339.08835 178.4
[M]- 339.08945 178.4
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.