CID 12464312

1-thiocoumarin, 3-amino-4-dipropylamino-

Structural Information

Molecular Formula
C15H20N2OS
SMILES
CCCN(CCC)C1=C(C(=O)SC2=CC=CC=C21)N
InChI
InChI=1S/C15H20N2OS/c1-3-9-17(10-4-2)14-11-7-5-6-8-12(11)19-15(18)13(14)16/h5-8H,3-4,9-10,16H2,1-2H3
InChIKey
HYVHTKLXVVZZBO-UHFFFAOYSA-N
Compound name
3-amino-4-(dipropylamino)thiochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12964 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13692 161.8
[M+Na]+ 299.11886 169.4
[M-H]- 275.12236 167.2
[M+NH4]+ 294.16346 179.8
[M+K]+ 315.09280 165.2
[M+H-H2O]+ 259.12690 154.6
[M+HCOO]- 321.12784 181.0
[M+CH3COO]- 335.14349 207.8
[M+Na-2H]- 297.10431 164.4
[M]+ 276.12909 165.5
[M]- 276.13019 165.5
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.