CID 135501677

Schembl9041182

Structural Information

Molecular Formula
C12H9Cl2N5O4S
SMILES
CC1=C(C(=C(C=C1)Cl)NS(=O)(=O)C2=NN3C(=CC(=O)NC3=N2)O)Cl
InChI
InChI=1S/C12H9Cl2N5O4S/c1-5-2-3-6(13)10(9(5)14)18-24(22,23)12-16-11-15-7(20)4-8(21)19(11)17-12/h2-4,18,21H,1H3,(H,15,16,17,20)
InChIKey
UFJZQZLNNOBIEK-UHFFFAOYSA-N
Compound name
N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

388.97522 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.98250 181.4
[M+Na]+ 411.96444 195.6
[M-H]- 387.96794 183.5
[M+NH4]+ 407.00904 191.4
[M+K]+ 427.93838 187.9
[M+H-H2O]+ 371.97248 175.2
[M+HCOO]- 433.97342 185.9
[M+CH3COO]- 447.98907 191.4
[M+Na-2H]- 409.94989 184.6
[M]+ 388.97467 188.8
[M]- 388.97577 188.8
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.