CID 485754

Vrc3441

Structural Information

Molecular Formula
C15H15FN6O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)NC3=NC=NN3)F
InChI
InChI=1S/C15H15FN6O4/c1-8(23)17-5-10-6-22(15(25)26-10)9-2-3-11(12(16)4-9)13(24)20-14-18-7-19-21-14/h2-4,7,10H,5-6H2,1H3,(H,17,23)(H2,18,19,20,21,24)/t10-/m0/s1
InChIKey
QOIZEGMNZVNWHP-JTQLQIEISA-N
Compound name
4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

362.1139 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12118 180.1
[M+Na]+ 385.10312 186.3
[M-H]- 361.10662 184.1
[M+NH4]+ 380.14772 187.7
[M+K]+ 401.07706 183.3
[M+H-H2O]+ 345.11116 169.3
[M+HCOO]- 407.11210 196.9
[M+CH3COO]- 421.12775 214.9
[M+Na-2H]- 383.08857 178.6
[M]+ 362.11335 178.1
[M]- 362.11445 178.1
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