CID 328723

Nsc308795

Structural Information

Molecular Formula
C16H19N3O4S
SMILES
CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)N)O
InChI
InChI=1S/C16H19N3O4S/c1-10(2)16(21)18-12-4-6-13(7-5-12)24(22,23)19-14-8-3-11(17)9-15(14)20/h3-10,19-20H,17H2,1-2H3,(H,18,21)
InChIKey
OCKYSUJVBBQAAC-UHFFFAOYSA-N
Compound name
N-[4-[(4-amino-2-hydroxyphenyl)sulfamoyl]phenyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

349.10962 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11690 178.5
[M+Na]+ 372.09884 183.5
[M-H]- 348.10234 183.3
[M+NH4]+ 367.14344 189.7
[M+K]+ 388.07278 179.3
[M+H-H2O]+ 332.10688 170.4
[M+HCOO]- 394.10782 195.2
[M+CH3COO]- 408.12347 215.6
[M+Na-2H]- 370.08429 180.0
[M]+ 349.10907 178.2
[M]- 349.11017 178.2
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.