CID 485648

Vrc3598

Structural Information

Molecular Formula
C17H16FN3O5
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)C3=CC=CO3)F
InChI
InChI=1S/C17H16FN3O5/c1-10(22)19-8-12-9-21(17(24)26-12)11-4-5-14(13(18)7-11)20-16(23)15-3-2-6-25-15/h2-7,12H,8-9H2,1H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKey
HFFOLCMCBVWKJO-LBPRGKRZSA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1074 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.11468 182.1
[M+Na]+ 384.09662 188.0
[M-H]- 360.10012 191.4
[M+NH4]+ 379.14122 193.1
[M+K]+ 400.07056 187.2
[M+H-H2O]+ 344.10466 173.5
[M+HCOO]- 406.10560 202.8
[M+CH3COO]- 420.12125 217.1
[M+Na-2H]- 382.08207 180.9
[M]+ 361.10685 183.0
[M]- 361.10795 183.0
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.