CID 214481

Brn 2178386

Structural Information

Molecular Formula
C17H16N2O5S
SMILES
CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H16N2O5S/c1-11(20)18-16-9-8-14(25(23,24)19-12(2)21)10-15(16)17(22)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20)(H,19,21)
InChIKey
IIZWVLPWJXWLQK-UHFFFAOYSA-N
Compound name
N-[4-(acetylsulfamoyl)-2-benzoylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.078 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.08528 180.7
[M+Na]+ 383.06722 186.0
[M-H]- 359.07072 187.2
[M+NH4]+ 378.11182 192.3
[M+K]+ 399.04116 182.6
[M+H-H2O]+ 343.07526 172.5
[M+HCOO]- 405.07620 198.0
[M+CH3COO]- 419.09185 215.5
[M+Na-2H]- 381.05267 182.3
[M]+ 360.07745 183.3
[M]- 360.07855 183.3
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.