CID 554203

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

Structural Information

Molecular Formula
C8H7N3S
SMILES
C1=CC=C(C=C1)C2=NC(=NS2)N
InChI
InChI=1S/C8H7N3S/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChIKey
WOZDQVLZCXNJPY-UHFFFAOYSA-N
Compound name
5-phenyl-1,2,4-thiadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

177.03607 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04335 133.8
[M+Na]+ 200.02529 146.8
[M+NH4]+ 195.06989 143.2
[M+K]+ 215.99923 140.1
[M-H]- 176.02879 137.8
[M+Na-2H]- 198.01074 142.4
[M]+ 177.03552 137.2
[M]- 177.03662 137.2
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