CID 137935288

2248327-70-8

Structural Information

Molecular Formula
C12H13N3OS
SMILES
CN(C)C(=O)SC1=C2C(=C(C=C1)N)C=CC=N2
InChI
InChI=1S/C12H13N3OS/c1-15(2)12(16)17-10-6-5-9(13)8-4-3-7-14-11(8)10/h3-7H,13H2,1-2H3
InChIKey
YHPWQMXPUIILLK-UHFFFAOYSA-N
Compound name
S-(5-aminoquinolin-8-yl) N,N-dimethylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07793 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08521 152.9
[M+Na]+ 270.06715 164.7
[M+NH4]+ 265.11175 161.5
[M+K]+ 286.04109 156.8
[M-H]- 246.07065 156.5
[M+Na-2H]- 268.05260 159.2
[M]+ 247.07738 156.0
[M]- 247.07848 156.0
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.