CID 3042374

3-amino-4-diethylamino-1-thiocoumarin

Structural Information

Molecular Formula
C13H16N2OS
SMILES
CCN(CC)C1=C(C(=O)SC2=CC=CC=C21)N
InChI
InChI=1S/C13H16N2OS/c1-3-15(4-2)12-9-7-5-6-8-10(9)17-13(16)11(12)14/h5-8H,3-4,14H2,1-2H3
InChIKey
IELZNSLIOHAMQZ-UHFFFAOYSA-N
Compound name
3-amino-4-(diethylamino)thiochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09833 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10561 153.6
[M+Na]+ 271.08755 166.1
[M+NH4]+ 266.13215 163.0
[M+K]+ 287.06149 157.1
[M-H]- 247.09105 158.2
[M+Na-2H]- 269.07300 160.2
[M]+ 248.09778 157.1
[M]- 248.09888 157.1
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.