CID 510222

Chembl444285

Structural Information

Molecular Formula
C17H21FN4O3
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3C[C@@H]4[C@H](C3)C4N)F
InChI
InChI=1S/C17H21FN4O3/c1-9(23)20-5-11-6-22(17(24)25-11)10-2-3-15(14(18)4-10)21-7-12-13(8-21)16(12)19/h2-4,11-13,16H,5-8,19H2,1H3,(H,20,23)/t11-,12-,13+,16?/m0/s1
InChIKey
PXLOZRJYERMRLK-RAGMHUQYSA-N
Compound name
N-[[(5S)-3-[4-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

348.15976 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16704 178.8
[M+Na]+ 371.14898 187.8
[M-H]- 347.15248 186.7
[M+NH4]+ 366.19358 187.5
[M+K]+ 387.12292 182.1
[M+H-H2O]+ 331.15702 171.2
[M+HCOO]- 393.15796 195.8
[M+CH3COO]- 407.17361 219.9
[M+Na-2H]- 369.13443 175.8
[M]+ 348.15921 179.4
[M]- 348.16031 179.4
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.