CID 146170992

Etx0282

Structural Information

Molecular Formula
C13H18FN3O5
SMILES
CC1=C[C@@H](N2C[C@@H]1N(C2=O)O[C@@H](C(=O)OC(C)C)F)C(=O)N
InChI
InChI=1S/C13H18FN3O5/c1-6(2)21-12(19)10(14)22-17-9-5-16(13(17)20)8(11(15)18)4-7(9)3/h4,6,8-10H,5H2,1-3H3,(H2,15,18)/t8-,9+,10+/m1/s1
InChIKey
OMNVFPBGXYKTDB-UTLUCORTSA-N
Compound name
propan-2-yl (2R)-2-[[(2R,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]-2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

315.12305 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13033 169.0
[M+Na]+ 338.11227 175.2
[M-H]- 314.11577 167.5
[M+NH4]+ 333.15687 183.7
[M+K]+ 354.08621 174.6
[M+H-H2O]+ 298.12031 161.9
[M+HCOO]- 360.12125 182.5
[M+CH3COO]- 374.13690 211.5
[M+Na-2H]- 336.09772 166.0
[M]+ 315.12250 169.9
[M]- 315.12360 169.9
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

No patent data available for this compound.