CID 3059757

As-triazine-3(2h)-thione, 5-phenyl-, sodium salt

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1=CC=C(C=C1)C2=CNNC(=S)N2
InChI
InChI=1S/C9H9N3S/c13-9-11-8(6-10-12-9)7-4-2-1-3-5-7/h1-6,10H,(H2,11,12,13)
InChIKey
RMRMOVHNJUYGOJ-UHFFFAOYSA-N
Compound name
5-phenyl-2,4-dihydro-1H-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

191.05171 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.058986 139.6
[M+Na]+ 214.040928 147.1
[M-H]- 190.044434 138.1
[M+NH4]+ 209.085533 153.5
[M+K]+ 230.014868 139.9
[M+H-H2O]+ 174.048970 132.4
[M+HCOO]- 236.049911 149.6
[M+CH3COO]- 250.065561 149.6
[M+Na-2H]- 212.026376 143.2
[M]+ 191.05116142 132.2
[M]- 191.05225858 132.2
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.