CID 3050357

1-thiocoumarin, 3-amino-4-(methylamino)-

Structural Information

Molecular Formula
C10H10N2OS
SMILES
CNC1=C(C(=O)SC2=CC=CC=C21)N
InChI
InChI=1S/C10H10N2OS/c1-12-9-6-4-2-3-5-7(6)14-10(13)8(9)11/h2-5,12H,11H2,1H3
InChIKey
GBCUABOWZSZDTB-UHFFFAOYSA-N
Compound name
3-amino-4-(methylamino)thiochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.05139 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.058666 138.6
[M+Na]+ 229.040608 148.5
[M-H]- 205.044114 143.5
[M+NH4]+ 224.085213 158.9
[M+K]+ 245.014548 143.9
[M+H-H2O]+ 189.048650 132.7
[M+HCOO]- 251.049591 159.1
[M+CH3COO]- 265.065241 189.4
[M+Na-2H]- 227.026056 144.5
[M]+ 206.05084142 139.4
[M]- 206.05193858 139.4
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.