CID 136755829

Metosulam-5-hydroxy

Structural Information

Molecular Formula
C13H11Cl2N5O4S
SMILES
CC1=C(C(=C(C=C1)Cl)NS(=O)(=O)C2=NN3C(=CC(=O)NC3=N2)OC)Cl
InChI
InChI=1S/C13H11Cl2N5O4S/c1-6-3-4-7(14)11(10(6)15)19-25(22,23)13-17-12-16-8(21)5-9(24-2)20(12)18-13/h3-5,19H,1-2H3,(H,16,17,18,21)
InChIKey
VSROZLYMVPRAFL-UHFFFAOYSA-N
Compound name
N-(2,6-dichloro-3-methylphenyl)-7-methoxy-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

402.99088 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.998156 186.0
[M+Na]+ 425.980098 200.2
[M-H]- 401.983604 189.2
[M+NH4]+ 421.024703 196.2
[M+K]+ 441.954038 193.1
[M+H-H2O]+ 385.988140 179.2
[M+HCOO]- 447.989081 191.6
[M+CH3COO]- 462.004731 215.4
[M+Na-2H]- 423.965546 189.0
[M]+ 402.99033142 195.4
[M]- 402.99142858 195.4
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

No patent data available for this compound.