CID 485661

Vrc3729

Structural Information

Molecular Formula
C17H17FN4O5
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N(C)C(=O)C3=CC=NO3)F
InChI
InChI=1S/C17H17FN4O5/c1-10(23)19-8-12-9-22(17(25)26-12)11-3-4-14(13(18)7-11)21(2)16(24)15-5-6-20-27-15/h3-7,12H,8-9H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKey
WUIJXSAGYJYYIF-LBPRGKRZSA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methyl-1,2-oxazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1183 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.12558 186.0
[M+Na]+ 399.10752 192.0
[M-H]- 375.11102 195.5
[M+NH4]+ 394.15212 195.6
[M+K]+ 415.08146 192.4
[M+H-H2O]+ 359.11556 176.5
[M+HCOO]- 421.11650 205.9
[M+CH3COO]- 435.13215 223.0
[M+Na-2H]- 397.09297 183.9
[M]+ 376.11775 188.6
[M]- 376.11885 188.6
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.