CID 485753

Vrc3440

Structural Information

Molecular Formula
C16H16FN5O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)NC3=NC=CN3)F
InChI
InChI=1S/C16H16FN5O4/c1-9(23)20-7-11-8-22(16(25)26-11)10-2-3-12(13(17)6-10)14(24)21-15-18-4-5-19-15/h2-6,11H,7-8H2,1H3,(H,20,23)(H2,18,19,21,24)/t11-/m0/s1
InChIKey
ZKDVFTLOJGJELU-NSHDSACASA-N
Compound name
4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1H-imidazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

361.11862 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.12590 180.7
[M+Na]+ 384.10784 186.5
[M-H]- 360.11134 185.7
[M+NH4]+ 379.15244 189.7
[M+K]+ 400.08178 183.5
[M+H-H2O]+ 344.11588 170.4
[M+HCOO]- 406.11682 198.4
[M+CH3COO]- 420.13247 214.9
[M+Na-2H]- 382.09329 178.8
[M]+ 361.11807 178.5
[M]- 361.11917 178.5
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