CID 101926290

7-oh-metosulam (m2)

Structural Information

Molecular Formula
C13H11Cl2N5O4S
SMILES
CC1=C(C(=C(C=C1)Cl)NS(=O)(=O)C2=NC3=NC(=CC(=O)N3N2)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(24-2)5-9(21)20(12)18-13/h3-5,19H,1-2H3,(H,16,17,18)
InChIKey
ZXIMXQTVCIJLGB-UHFFFAOYSA-N
Compound name
N-(2,6-dichloro-3-methylphenyl)-5-methoxy-7-oxo-1H-[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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.99816 186.0
[M+Na]+ 425.98010 200.2
[M-H]- 401.98360 189.2
[M+NH4]+ 421.02470 196.2
[M+K]+ 441.95404 193.1
[M+H-H2O]+ 385.98814 179.2
[M+HCOO]- 447.98908 191.6
[M+CH3COO]- 462.00473 215.4
[M+Na-2H]- 423.96555 189.0
[M]+ 402.99033 195.4
[M]- 402.99143 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.