CID 57790

4h-(1)benzothiopyrano(4,3-c)isoxazole-3-carboxamide, n-(2-(dimethylamino)ethyl)-6-fluoro-

Structural Information

Molecular Formula
C15H16FN3O2S
SMILES
CN(C)CCNC(=O)C1=C2CSC3=C(C2=NO1)C=CC=C3F
InChI
InChI=1S/C15H16FN3O2S/c1-19(2)7-6-17-15(20)13-10-8-22-14-9(12(10)18-21-13)4-3-5-11(14)16/h3-5H,6-8H2,1-2H3,(H,17,20)
InChIKey
FTYLZKIQNSHEBK-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-6-fluoro-4H-thiochromeno[4,3-c][1,2]oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.09473 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10201 170.4
[M+Na]+ 344.08395 178.4
[M-H]- 320.08745 175.2
[M+NH4]+ 339.12855 186.9
[M+K]+ 360.05789 176.0
[M+H-H2O]+ 304.09199 162.6
[M+HCOO]- 366.09293 185.8
[M+CH3COO]- 380.10858 213.9
[M+Na-2H]- 342.06940 173.2
[M]+ 321.09418 174.5
[M]- 321.09528 174.5
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.