CID 16446930

138588-25-7

Structural Information

Molecular Formula
C9H9N3OS
SMILES
COC1=CC=C(C=C1)C2=NSC(=N2)N
InChI
InChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-11-9(10)14-12-8/h2-5H,1H3,(H2,10,11,12)
InChIKey
HAFHXRBEIXJLBW-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

207.04663 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05391 141.2
[M+Na]+ 230.03585 151.7
[M-H]- 206.03935 146.1
[M+NH4]+ 225.08045 159.8
[M+K]+ 246.00979 148.0
[M+H-H2O]+ 190.04389 133.9
[M+HCOO]- 252.04483 161.2
[M+CH3COO]- 266.06048 154.8
[M+Na-2H]- 228.02130 144.2
[M]+ 207.04608 143.3
[M]- 207.04718 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

No literature data available for this compound.

Patent stripe

patents stripe