CID 3069251

84459-89-2

Structural Information

Molecular Formula
C18H19FN2O2
SMILES
C1C(OC(=O)N1C2=CC=C(C=C2)CCC3=CC(=CC=C3)F)CN
InChI
InChI=1S/C18H19FN2O2/c19-15-3-1-2-14(10-15)5-4-13-6-8-16(9-7-13)21-12-17(11-20)23-18(21)22/h1-3,6-10,17H,4-5,11-12,20H2
InChIKey
KVZHNOGFUCSHMN-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

314.14307 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15035 173.9
[M+Na]+ 337.13229 181.2
[M-H]- 313.13579 181.3
[M+NH4]+ 332.17689 186.9
[M+K]+ 353.10623 176.6
[M+H-H2O]+ 297.14033 164.0
[M+HCOO]- 359.14127 193.9
[M+CH3COO]- 373.15692 208.1
[M+Na-2H]- 335.11774 174.2
[M]+ 314.14252 171.9
[M]- 314.14362 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe