CID 485755

Schembl6796940

Structural Information

Molecular Formula
C15H18FN3O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)N(C)C)F
InChI
InChI=1S/C15H18FN3O4/c1-9(20)17-7-11-8-19(15(22)23-11)10-4-5-12(13(16)6-10)14(21)18(2)3/h4-6,11H,7-8H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKey
HIWXYJRQPQSGBX-NSHDSACASA-N
Compound name
4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

323.12814 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13542 174.1
[M+Na]+ 346.11736 180.3
[M-H]- 322.12086 180.6
[M+NH4]+ 341.16196 187.5
[M+K]+ 362.09130 180.0
[M+H-H2O]+ 306.12540 165.2
[M+HCOO]- 368.12634 194.7
[M+CH3COO]- 382.14199 215.8
[M+Na-2H]- 344.10281 172.7
[M]+ 323.12759 175.1
[M]- 323.12869 175.1
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