CID 64324180

2-aminoquinoline-3-carbothioamide

Structural Information

Molecular Formula
C10H9N3S
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)N)C(=S)N
InChI
InChI=1S/C10H9N3S/c11-9-7(10(12)14)5-6-3-1-2-4-8(6)13-9/h1-5H,(H2,11,13)(H2,12,14)
InChIKey
VIYUCMJLNGWFGK-UHFFFAOYSA-N
Compound name
2-aminoquinoline-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05171 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.058986 140.0
[M+Na]+ 226.040928 149.0
[M-H]- 202.044434 142.7
[M+NH4]+ 221.085533 158.5
[M+K]+ 242.014868 143.8
[M+H-H2O]+ 186.048970 133.5
[M+HCOO]- 248.049911 157.5
[M+CH3COO]- 262.065561 152.4
[M+Na-2H]- 224.026376 144.5
[M]+ 203.05116142 138.0
[M]- 203.05225858 138.0
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.