CID 25103750

Felezonexor

Structural Information

Molecular Formula
C18H21ClF3N3O3
SMILES
CC1=C(C(=O)N(C1=O)NC2=NC(=C(C=C2)C(F)(F)F)Cl)COCCC(C)(C)C
InChI
InChI=1S/C18H21ClF3N3O3/c1-10-11(9-28-8-7-17(2,3)4)16(27)25(15(10)26)24-13-6-5-12(14(19)23-13)18(20,21)22/h5-6H,7-9H2,1-4H3,(H,23,24)
InChIKey
CMASLSTVVOYJQY-UHFFFAOYSA-N
Compound name
1-[[6-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-(3,3-dimethylbutoxymethyl)-4-methylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

94
Patents

419.12234 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.12962 196.3
[M+Na]+ 442.11156 206.3
[M-H]- 418.11506 197.4
[M+NH4]+ 437.15616 207.2
[M+K]+ 458.08550 200.3
[M+H-H2O]+ 402.11960 186.5
[M+HCOO]- 464.12054 206.8
[M+CH3COO]- 478.13619 227.4
[M+Na-2H]- 440.09701 195.1
[M]+ 419.12179 199.0
[M]- 419.12289 199.0
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