CID 692882

5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C9H9N3OS
SMILES
COC1=CC=C(C=C1)C2=NN=C(S2)N
InChI
InChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
InChIKey
UJBCFMCQLVRXBQ-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

91
Patents

207.04663 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.053906 141.2
[M+Na]+ 230.035848 151.7
[M-H]- 206.039354 146.1
[M+NH4]+ 225.080453 159.8
[M+K]+ 246.009788 148.0
[M+H-H2O]+ 190.043890 133.9
[M+HCOO]- 252.044831 161.2
[M+CH3COO]- 266.060481 154.8
[M+Na-2H]- 228.021296 144.2
[M]+ 207.04608142 143.3
[M]- 207.04717858 143.3
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

patents stripe