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]+ 229.05425 145.2
[M+Na]+ 251.03619 157.8
[M-H]- 227.03969 150.0
[M+NH4]+ 246.08079 162.7
[M+K]+ 267.01013 151.9
[M+H-H2O]+ 211.04423 137.4
[M+HCOO]- 273.04517 164.4
[M+CH3COO]- 287.06082 158.7
[M+Na-2H]- 249.02164 151.4
[M]+ 228.04642 147.6
[M]- 228.04752 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.