CID 97245

5-phenylthio-6-azauracil

Structural Information

Molecular Formula
C9H7N3O2S
SMILES
C1=CC=C(C=C1)SC2C(=O)NC(=O)N=N2
InChI
InChI=1S/C9H7N3O2S/c13-7-8(11-12-9(14)10-7)15-6-4-2-1-3-5-6/h1-5,8H,(H,10,13,14)
InChIKey
XCHQMLGPNWTLHC-UHFFFAOYSA-N
Compound name
6-phenylsulfanyl-6H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.0259 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03318 146.1
[M+Na]+ 244.01512 159.3
[M+NH4]+ 239.05972 153.2
[M+K]+ 259.98906 151.4
[M-H]- 220.01862 147.7
[M+Na-2H]- 242.00057 152.8
[M]+ 221.02535 148.7
[M]- 221.02645 148.7
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.