CID 728482

101428-42-6

Structural Information

Molecular Formula
C16H20N4O3S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)C)C
InChI
InChI=1S/C16H20N4O3S/c1-10(2)15(21)19-13-5-7-14(8-6-13)24(22,23)20-16-17-11(3)9-12(4)18-16/h5-10H,1-4H3,(H,19,21)(H,17,18,20)
InChIKey
OZKMBUGAHKUFIX-UHFFFAOYSA-N
Compound name
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

348.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13288 180.5
[M+Na]+ 371.11482 187.5
[M-H]- 347.11832 185.0
[M+NH4]+ 366.15942 190.8
[M+K]+ 387.08876 183.0
[M+H-H2O]+ 331.12286 171.6
[M+HCOO]- 393.12380 195.9
[M+CH3COO]- 407.13945 216.0
[M+Na-2H]- 369.10027 182.9
[M]+ 348.12505 183.4
[M]- 348.12615 183.4
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.