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]+ 204.05899 140.0
[M+Na]+ 226.04093 149.0
[M-H]- 202.04443 142.7
[M+NH4]+ 221.08553 158.5
[M+K]+ 242.01487 143.8
[M+H-H2O]+ 186.04897 133.5
[M+HCOO]- 248.04991 157.5
[M+CH3COO]- 262.06556 152.4
[M+Na-2H]- 224.02638 144.5
[M]+ 203.05116 138.0
[M]- 203.05226 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.