CID 163373364

Zevotrelvir

Structural Information

Molecular Formula
C28H26F3N5O3
SMILES
CC(C)C[C@@H](C(=O)N1C[C@@]2(C[C@H]1C#N)C3=CC=CC=C3NC2=O)N(C)C(=O)C4=CC5=C(N4)C(=C(C=C5F)F)F
InChI
InChI=1S/C28H26F3N5O3/c1-14(2)8-22(35(3)25(37)21-9-16-18(29)10-19(30)23(31)24(16)33-21)26(38)36-13-28(11-15(36)12-32)17-6-4-5-7-20(17)34-27(28)39/h4-7,9-10,14-15,22,33H,8,11,13H2,1-3H3,(H,34,39)/t15-,22-,28-/m0/s1
InChIKey
ZVSKSJFRHVXDPS-JNFGOLMQSA-N
Compound name
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4,6,7-trifluoro-N-methyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8
Patents

537.1988 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.20608 225.2
[M+Na]+ 560.18802 234.0
[M-H]- 536.19152 225.8
[M+NH4]+ 555.23262 233.3
[M+K]+ 576.16196 223.7
[M+H-H2O]+ 520.19606 208.8
[M+HCOO]- 582.19700 230.8
[M+CH3COO]- 596.21265 228.9
[M+Na-2H]- 558.17347 214.9
[M]+ 537.19825 217.6
[M]- 537.19935 217.6
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