CID 13787754

Schembl1688047

Structural Information

Molecular Formula
C16H18N4O3S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(=C)C)C
InChI
InChI=1S/C16H18N4O3S/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/h5-9H,1H2,2-4H3,(H,19,21)(H,17,18,20)
InChIKey
FTDWQQAHMIKKGJ-UHFFFAOYSA-N
Compound name
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

346.10995 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.117226 179.8
[M+Na]+ 369.099168 187.1
[M-H]- 345.102674 184.3
[M+NH4]+ 364.143773 190.1
[M+K]+ 385.073108 182.0
[M+H-H2O]+ 329.107210 170.9
[M+HCOO]- 391.108151 195.4
[M+CH3COO]- 405.123801 215.2
[M+Na-2H]- 367.084616 182.1
[M]+ 346.10940142 182.0
[M]- 346.11049858 182.0
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

patents stripe