CID 199787

5-benzylthio-6-azauracil

Structural Information

Molecular Formula
C10H9N3O2S
SMILES
C1=CC=C(C=C1)CSC2=NNC(=O)NC2=O
InChI
InChI=1S/C10H9N3O2S/c14-8-9(12-13-10(15)11-8)16-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15)
InChIKey
OIJCGUQZJJNSLM-UHFFFAOYSA-N
Compound name
6-benzylsulfanyl-2H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

235.04155 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.04883 148.2
[M+Na]+ 258.03077 158.4
[M-H]- 234.03427 148.9
[M+NH4]+ 253.07537 161.1
[M+K]+ 274.00471 151.6
[M+H-H2O]+ 218.03881 140.2
[M+HCOO]- 280.03975 162.6
[M+CH3COO]- 294.05540 159.4
[M+Na-2H]- 256.01622 152.8
[M]+ 235.04100 147.9
[M]- 235.04210 147.9
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.