CID 485651

Vrc3602

Structural Information

Molecular Formula
C15H18FN3O5
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)COC)F
InChI
InChI=1S/C15H18FN3O5/c1-9(20)17-6-11-7-19(15(22)24-11)10-3-4-13(12(16)5-10)18-14(21)8-23-2/h3-5,11H,6-8H2,1-2H3,(H,17,20)(H,18,21)/t11-/m0/s1
InChIKey
YKAOPJKFWKSSSH-NSHDSACASA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-methoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12305 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13033 176.4
[M+Na]+ 362.11227 182.2
[M-H]- 338.11577 181.3
[M+NH4]+ 357.15687 188.3
[M+K]+ 378.08621 181.2
[M+H-H2O]+ 322.12031 167.3
[M+HCOO]- 384.12125 196.6
[M+CH3COO]- 398.13690 214.8
[M+Na-2H]- 360.09772 175.9
[M]+ 339.12250 177.6
[M]- 339.12360 177.6
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

No patent data available for this compound.