CID 83115

5-anilino-1,2,3,4-thiatriazole

Structural Information

Molecular Formula
C7H6N4S
SMILES
C1=CC=C(C=C1)NC2=NN=NS2
InChI
InChI=1S/C7H6N4S/c1-2-4-6(5-3-1)8-7-9-10-11-12-7/h1-5H,(H,8,9,11)
InChIKey
WBIAWXNTQCZGMO-UHFFFAOYSA-N
Compound name
N-phenylthiatriazol-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

42
Patents

178.03131 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03859 133.0
[M+Na]+ 201.02053 145.9
[M+NH4]+ 196.06513 141.8
[M+K]+ 216.99447 139.2
[M-H]- 177.02403 136.2
[M+Na-2H]- 199.00598 142.0
[M]+ 178.03076 136.1
[M]- 178.03186 136.1
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