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-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

410.08694 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.09422 191.5
[M+Na]+ 433.07616 203.3
[M-H]- 409.07966 194.5
[M+NH4]+ 428.12076 194.8
[M+K]+ 449.05010 197.9
[M+H-H2O]+ 393.08420 183.0
[M+HCOO]- 455.08514 204.9
[M+CH3COO]- 469.10079 220.5
[M+Na-2H]- 431.06161 193.3
[M]+ 410.08639 197.6
[M]- 410.08749 197.6
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.