CID 486029

Schembl8308401

Structural Information

Molecular Formula
C16H19F2N3O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C(=C2)F)N3CCOCC3)F
InChI
InChI=1S/C16H19F2N3O4/c1-10(22)19-8-12-9-21(16(23)25-12)11-6-13(17)15(14(18)7-11)20-2-4-24-5-3-20/h6-7,12H,2-5,8-9H2,1H3,(H,19,22)/t12-/m0/s1
InChIKey
WGIFOQVMODBSBA-LBPRGKRZSA-N
Compound name
N-[[(5S)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

355.13437 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14165 183.3
[M+Na]+ 378.12359 189.1
[M-H]- 354.12709 188.7
[M+NH4]+ 373.16819 191.8
[M+K]+ 394.09753 187.2
[M+H-H2O]+ 338.13163 172.2
[M+HCOO]- 400.13257 196.3
[M+CH3COO]- 414.14822 215.0
[M+Na-2H]- 376.10904 180.7
[M]+ 355.13382 179.2
[M]- 355.13492 179.2
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