CID 135446973

Chembl183927

Structural Information

Molecular Formula
C9H6N6O2S
SMILES
C1=CSC(=C1)C2=NC(=C(C(=O)N2)O)C3=NNN=N3
InChI
InChI=1S/C9H6N6O2S/c16-6-5(8-12-14-15-13-8)10-7(11-9(6)17)4-2-1-3-18-4/h1-3,16H,(H,10,11,17)(H,12,13,14,15)
InChIKey
QGGJGKDTHLVDLU-UHFFFAOYSA-N
Compound name
5-hydroxy-4-(2H-tetrazol-5-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.02728 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.03456 153.3
[M+Na]+ 285.01650 166.9
[M-H]- 261.02000 154.6
[M+NH4]+ 280.06110 164.5
[M+K]+ 300.99044 160.0
[M+H-H2O]+ 245.02454 145.3
[M+HCOO]- 307.02548 167.3
[M+CH3COO]- 321.04113 164.7
[M+Na-2H]- 283.00195 154.4
[M]+ 262.02673 154.6
[M]- 262.02783 154.6
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.