CID 199039

Quinoline, 4-(2-amino-1,3,4-thiadiazol-5-yl)-, hydrochloride

Structural Information

Molecular Formula
C11H8N4S
SMILES
C1=CC=C2C(=C1)C(=CC=N2)C3=NN=C(S3)N
InChI
InChI=1S/C11H8N4S/c12-11-15-14-10(16-11)8-5-6-13-9-4-2-1-3-7(8)9/h1-6H,(H2,12,15)
InChIKey
JJXAMHDGMRYRAO-UHFFFAOYSA-N
Compound name
5-quinolin-4-yl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.04697 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.054246 145.2
[M+Na]+ 251.036188 157.8
[M-H]- 227.039694 150.0
[M+NH4]+ 246.080793 162.7
[M+K]+ 267.010128 151.9
[M+H-H2O]+ 211.044230 137.4
[M+HCOO]- 273.045171 164.4
[M+CH3COO]- 287.060821 158.7
[M+Na-2H]- 249.021636 151.4
[M]+ 228.04642142 147.6
[M]- 228.04751858 147.6
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.