CID 135317244

Firzacorvir

Structural Information

Molecular Formula
C18H18ClFN6O3S2
SMILES
CN1C=C(N=C1)C2=CN=C(S2)[C@H]3C[C@H](N(S(=O)(=O)N3)C)C(=O)NC4=CC(=C(C=C4)F)Cl
InChI
InChI=1S/C18H18ClFN6O3S2/c1-25-8-14(22-9-25)16-7-21-18(30-16)13-6-15(26(2)31(28,29)24-13)17(27)23-10-3-4-12(20)11(19)5-10/h3-5,7-9,13,15,24H,6H2,1-2H3,(H,23,27)/t13-,15+/m1/s1
InChIKey
XVKTYEAUJPZPDZ-HIFRSBDPSA-N
Compound name
(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

484.05545 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.06273 202.1
[M+Na]+ 507.04467 213.6
[M+NH4]+ 502.08927 207.3
[M+K]+ 523.01861 206.8
[M-H]- 483.04817 204.1
[M+Na-2H]- 505.03012 208.7
[M]+ 484.05490 205.2
[M]- 484.05600 205.2
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