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

literature stripe

Patent stripe

patents stripe