CID 3341381

90564-94-6

Structural Information

Molecular Formula
C9H9N3OS
SMILES
COC1=NSC(=N1)NC2=CC=CC=C2
InChI
InChI=1S/C9H9N3OS/c1-13-8-11-9(14-12-8)10-7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,12)
InChIKey
FNXPHVCUFRXVTR-UHFFFAOYSA-N
Compound name
3-methoxy-N-phenyl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04663 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.053906 140.6
[M+Na]+ 230.035848 150.1
[M-H]- 206.039354 145.6
[M+NH4]+ 225.080453 159.1
[M+K]+ 246.009788 146.9
[M+H-H2O]+ 190.043890 132.9
[M+HCOO]- 252.044831 161.2
[M+CH3COO]- 266.060481 154.1
[M+Na-2H]- 228.021296 145.3
[M]+ 207.04608142 143.2
[M]- 207.04717858 143.2
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

patents stripe