CID 146677062

Dtxsid501022050

Structural Information

Molecular Formula

C₁₂H₁₄N₁₀O₅S

SMILES

CN1C(=C(C=N1)C2=NN(N=N2)C)S(=O)(=O)NC(=O)NC3=NC(=CC(=O)N3)OC

InChI

InChI=1S/C12H14N10O5S/c1-21-10(6(5-13-21)9-17-20-22(2)18-9)28(25,26)19-12(24)16-11-14-7(23)4-8(15-11)27-3/h4-5H,1-3H3,(H3,14,15,16,19,23,24)

InChIKey

ASDHMVNMFHDGND-UHFFFAOYSA-N

Compound name

1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 410.08694 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	411.094216	191.5
[M+Na]+	433.076158	203.3
[M-H]-	409.079664	194.5
[M+NH4]+	428.120763	194.8
[M+K]+	449.050098	197.9
[M+H-H2O]+	393.084200	183.0
[M+HCOO]-	455.085141	204.9
[M+CH3COO]-	469.100791	220.5
[M+Na-2H]-	431.061606	193.3
[M]+	410.08639142	197.6
[M]-	410.08748858	197.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.