CID 153379950

Tegeprotafib

Structural Information

Molecular Formula
C13H11FN2O5S
SMILES
COC1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F
InChI
InChI=1S/C13H11FN2O5S/c1-21-8-3-2-7-4-10(17)13(12(14)9(7)5-8)16-6-11(18)15-22(16,19)20/h2-5,17H,6H2,1H3,(H,15,18)
InChIKey
CPLSFGHDGOFDRP-UHFFFAOYSA-N
Compound name
5-(1-fluoro-3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

326.03726 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.04454 166.4
[M+Na]+ 349.02648 178.4
[M-H]- 325.02998 168.9
[M+NH4]+ 344.07108 182.4
[M+K]+ 365.00042 173.1
[M+H-H2O]+ 309.03452 159.9
[M+HCOO]- 371.03546 178.6
[M+CH3COO]- 385.05111 199.5
[M+Na-2H]- 347.01193 167.5
[M]+ 326.03671 168.9
[M]- 326.03781 168.9
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

patents stripe