CID 485756

Schembl6792762

Structural Information

Molecular Formula
C13H15FN4O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)NN)F
InChI
InChI=1S/C13H15FN4O4/c1-7(19)16-5-9-6-18(13(21)22-9)8-2-3-10(11(14)4-8)12(20)17-15/h2-4,9H,5-6,15H2,1H3,(H,16,19)(H,17,20)/t9-/m0/s1
InChIKey
NVFPTVDYYJLTFC-VIFPVBQESA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(hydrazinecarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

310.10773 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11501 169.5
[M+Na]+ 333.09695 175.4
[M-H]- 309.10045 174.3
[M+NH4]+ 328.14155 182.0
[M+K]+ 349.07089 173.9
[M+H-H2O]+ 293.10499 160.3
[M+HCOO]- 355.10593 190.6
[M+CH3COO]- 369.12158 211.5
[M+Na-2H]- 331.08240 169.2
[M]+ 310.10718 166.8
[M]- 310.10828 166.8
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