CID 24752296

Azd1386

Structural Information

Molecular Formula
C19H13ClF3N3O3
SMILES
CC1=CC(=CC2=C1N(C(=O)C23C(=O)NC(=O)N3)CC4=CC(=CC=C4)C(F)(F)F)Cl
InChI
InChI=1S/C19H13ClF3N3O3/c1-9-5-12(20)7-13-14(9)26(16(28)18(13)15(27)24-17(29)25-18)8-10-3-2-4-11(6-10)19(21,22)23/h2-7H,8H2,1H3,(H2,24,25,27,29)
InChIKey
DXDVSYALLVVBOV-UHFFFAOYSA-N
Compound name
5'-chloro-7'-methyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

26
Patents

423.05975 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.06703 193.9
[M+Na]+ 446.04897 202.7
[M+NH4]+ 441.09357 198.1
[M+K]+ 462.02291 199.5
[M-H]- 422.05247 190.3
[M+Na-2H]- 444.03442 195.6
[M]+ 423.05920 194.0
[M]- 423.06030 194.0
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