CID 9555826

Nsc637084

Structural Information

Molecular Formula
C18H16N4O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N/N=C/CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H16N4O5S/c1-12(23)20-13-6-8-14(9-7-13)28(26,27)21-19-10-11-22-17(24)15-4-2-3-5-16(15)18(22)25/h2-10,21H,11H2,1H3,(H,20,23)/b19-10+
InChIKey
UEYDEMUWHMOJRO-VXLYETTFSA-N
Compound name
N-[4-[[(E)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.08414 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.09142 190.1
[M+Na]+ 423.07336 197.2
[M-H]- 399.07686 197.9
[M+NH4]+ 418.11796 202.4
[M+K]+ 439.04730 192.9
[M+H-H2O]+ 383.08140 181.9
[M+HCOO]- 445.08234 209.6
[M+CH3COO]- 459.09799 226.8
[M+Na-2H]- 421.05881 193.9
[M]+ 400.08359 194.4
[M]- 400.08469 194.4
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.