CID 59317190

Glpg0492

Structural Information

Molecular Formula
C19H14F3N3O3
SMILES
CN1C(=O)N(C(=O)[C@@]1(CO)C2=CC=CC=C2)C3=CC(=C(C=C3)C#N)C(F)(F)F
InChI
InChI=1S/C19H14F3N3O3/c1-24-17(28)25(14-8-7-12(10-23)15(9-14)19(20,21)22)16(27)18(24,11-26)13-5-3-2-4-6-13/h2-9,26H,11H2,1H3/t18-/m1/s1
InChIKey
VAJGULUVTFDTAS-GOSISDBHSA-N
Compound name
4-[(4S)-4-(hydroxymethyl)-3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

71
Patents

389.09872 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.10600 186.2
[M+Na]+ 412.08794 198.0
[M-H]- 388.09144 187.3
[M+NH4]+ 407.13254 196.4
[M+K]+ 428.06188 190.0
[M+H-H2O]+ 372.09598 168.9
[M+HCOO]- 434.09692 197.0
[M+CH3COO]- 448.11257 225.1
[M+Na-2H]- 410.07339 185.0
[M]+ 389.09817 177.8
[M]- 389.09927 177.8
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