CID 509151

1,2,4-thiadiazolium, 5-amino-2-phenyl-3-(2-thienyl)-

Structural Information

Molecular Formula
C12H10N3S2
SMILES
C1=CC=C(C=C1)[N+]2=C(N=C(S2)N)C3=CC=CS3
InChI
InChI=1S/C12H9N3S2/c13-12-14-11(10-7-4-8-16-10)15(17-12)9-5-2-1-3-6-9/h1-8,13H/p+1
InChIKey
LXFGOXFNXOUIOW-UHFFFAOYSA-O
Compound name
2-phenyl-3-thiophen-2-yl-1,2,4-thiadiazol-2-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.03162 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03890 151.6
[M+Na]+ 283.02084 164.1
[M-H]- 259.02434 160.7
[M+NH4]+ 278.06544 170.0
[M+K]+ 298.99478 152.7
[M+H-H2O]+ 243.02888 147.7
[M+HCOO]- 305.02982 168.7
[M+CH3COO]- 319.04547 165.1
[M+Na-2H]- 281.00629 154.2
[M]+ 260.03107 153.0
[M]- 260.03217 153.0
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.