CID 44205191

Delpazolid

Structural Information

Molecular Formula
C14H17FN4O3
SMILES
CN1CCN(C=N1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CO)F
InChI
InChI=1S/C14H17FN4O3/c1-17-4-5-18(9-16-17)13-3-2-10(6-12(13)15)19-7-11(8-20)22-14(19)21/h2-3,6,9,11,20H,4-5,7-8H2,1H3/t11-/m1/s1
InChIKey
QLUWQAFDTNAYPN-LLVKDONJSA-N
Compound name
(5R)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

14
References

36
Patents

308.12848 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13576 172.5
[M+Na]+ 331.11770 180.6
[M-H]- 307.12120 175.2
[M+NH4]+ 326.16230 181.5
[M+K]+ 347.09164 176.7
[M+H-H2O]+ 291.12574 161.3
[M+HCOO]- 353.12668 185.0
[M+CH3COO]- 367.14233 181.7
[M+Na-2H]- 329.10315 171.5
[M]+ 308.12793 169.4
[M]- 308.12903 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe