CID 5340173

1,3,4-thiadiazole, 2-amino-5-styryl-, hydrochloride, hydrate

Structural Information

Molecular Formula
C10H9N3S
SMILES
C1=CC=C(C=C1)/C=C/C2=NN=C(S2)N
InChI
InChI=1S/C10H9N3S/c11-10-13-12-9(14-10)7-6-8-4-2-1-3-5-8/h1-7H,(H2,11,13)/b7-6+
InChIKey
MFAWSDUTTXHYTR-VOTSOKGWSA-N
Compound name
5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

9
Patents

203.05171 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.058986 141.7
[M+Na]+ 226.040928 151.5
[M-H]- 202.044434 146.1
[M+NH4]+ 221.085533 160.3
[M+K]+ 242.014868 146.5
[M+H-H2O]+ 186.048970 134.2
[M+HCOO]- 248.049911 161.4
[M+CH3COO]- 262.065561 154.8
[M+Na-2H]- 224.026376 144.8
[M]+ 203.05116142 141.6
[M]- 203.05225858 141.6
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