CID 497418

Schembl5833513

Structural Information

Molecular Formula
C17H16FN5O3
SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC4=NOC=C4)F
InChI
InChI=1S/C17H16FN5O3/c1-11-8-22(10-20-11)15-3-2-12(6-14(15)18)23-9-13(26-17(23)24)7-19-16-4-5-25-21-16/h2-6,8,10,13H,7,9H2,1H3,(H,19,21)/t13-/m0/s1
InChIKey
DPWSYXMYIPEJPB-ZDUSSCGKSA-N
Compound name
(5S)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

357.12372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13100 177.4
[M+Na]+ 380.11294 187.3
[M-H]- 356.11644 187.3
[M+NH4]+ 375.15754 187.0
[M+K]+ 396.08688 184.7
[M+H-H2O]+ 340.12098 167.4
[M+HCOO]- 402.12192 197.7
[M+CH3COO]- 416.13757 188.7
[M+Na-2H]- 378.09839 175.7
[M]+ 357.12317 180.7
[M]- 357.12427 180.7
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

No patent data available for this compound.