CID 132016492

Sisunatovir

Structural Information

Molecular Formula
C23H22F4N4O
SMILES
C1CC12C3=C(C=C(C=C3)F)N(C2=O)CC4=NC5=C(N4CCCC(F)(F)F)C=CC(=C5)CN
InChI
InChI=1S/C23H22F4N4O/c24-15-3-4-16-19(11-15)31(21(32)22(16)7-8-22)13-20-29-17-10-14(12-28)2-5-18(17)30(20)9-1-6-23(25,26)27/h2-5,10-11H,1,6-9,12-13,28H2
InChIKey
JOPCJJSYRPUEDS-UHFFFAOYSA-N
Compound name
1'-[[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

66
Patents

446.17297 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.18025 200.0
[M+Na]+ 469.16219 208.2
[M+NH4]+ 464.20679 204.8
[M+K]+ 485.13613 205.3
[M-H]- 445.16569 203.1
[M+Na-2H]- 467.14764 204.0
[M]+ 446.17242 202.7
[M]- 446.17352 202.7
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