CID 160024

Fidarestat

Structural Information

Molecular Formula
C12H10FN3O4
SMILES
C1[C@H](OC2=C([C@]13C(=O)NC(=O)N3)C=C(C=C2)F)C(=O)N
InChI
InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1
InChIKey
WAAPEIZFCHNLKK-UFBFGSQYSA-N
Compound name
(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

102
References

3594
Patents

279.06552 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07280 158.8
[M+Na]+ 302.05474 167.6
[M-H]- 278.05824 159.5
[M+NH4]+ 297.09934 174.0
[M+K]+ 318.02868 163.5
[M+H-H2O]+ 262.06278 151.4
[M+HCOO]- 324.06372 171.6
[M+CH3COO]- 338.07937 194.9
[M+Na-2H]- 300.04019 161.1
[M]+ 279.06497 152.3
[M]- 279.06607 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe