CID 3341381

3-methoxy-n-phenyl-1,2,4-thiadiazol-5-amine

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]+ 208.05391 141.8
[M+Na]+ 230.03585 154.4
[M+NH4]+ 225.08045 150.6
[M+K]+ 246.00979 147.7
[M-H]- 206.03935 145.5
[M+Na-2H]- 228.02130 150.2
[M]+ 207.04608 145.0
[M]- 207.04718 145.0
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.