CID 367470

Nsc637202

Structural Information

Molecular Formula
C12H10Cl2N4O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C12H10Cl2N4O3S/c1-7-2-4-8(5-3-7)22(20,21)18-12(19)17-11-15-9(13)6-10(14)16-11/h2-6H,1H3,(H2,15,16,17,18,19)
InChIKey
GWNWAVHATZHNBC-UHFFFAOYSA-N
Compound name
1-(4,6-dichloropyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.98508 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.99236 174.1
[M+Na]+ 382.97430 183.9
[M-H]- 358.97780 178.7
[M+NH4]+ 378.01890 185.5
[M+K]+ 398.94824 177.5
[M+H-H2O]+ 342.98234 167.2
[M+HCOO]- 404.98328 182.3
[M+CH3COO]- 418.99893 210.4
[M+Na-2H]- 380.95975 178.2
[M]+ 359.98453 179.2
[M]- 359.98563 179.2
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

No patent data available for this compound.