CID 25023632

Schembl3088861

Structural Information

Molecular Formula
C19H20FN3O3
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CN)F
InChI
InChI=1S/C19H20FN3O3/c1-12(24)22-10-16-11-23(19(25)26-16)15-6-7-17(18(20)8-15)14-4-2-13(9-21)3-5-14/h2-8,16H,9-11,21H2,1H3,(H,22,24)/t16-/m0/s1
InChIKey
PTFZEIBVXSCGEN-INIZCTEOSA-N
Compound name
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

24
Patents

357.14886 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.156136 185.3
[M+Na]+ 380.138078 191.9
[M-H]- 356.141584 193.0
[M+NH4]+ 375.182683 196.2
[M+K]+ 396.112018 187.8
[M+H-H2O]+ 340.146120 175.1
[M+HCOO]- 402.147061 205.3
[M+CH3COO]- 416.162711 219.4
[M+Na-2H]- 378.123526 183.9
[M]+ 357.14831142 183.4
[M]- 357.14940858 183.4
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