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]+ 207.05867 138.6
[M+Na]+ 229.04061 148.5
[M-H]- 205.04411 143.5
[M+NH4]+ 224.08521 158.9
[M+K]+ 245.01455 143.9
[M+H-H2O]+ 189.04865 132.7
[M+HCOO]- 251.04959 159.1
[M+CH3COO]- 265.06524 189.4
[M+Na-2H]- 227.02606 144.5
[M]+ 206.05084 139.4
[M]- 206.05194 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.