CID 485771

Vrc-327

Structural Information

Molecular Formula
C21H24FN5O3
SMILES
CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)F
InChI
InChI=1S/C21H24FN5O3/c1-15(28)24-13-17-14-27(21(29)30-17)16-5-6-19(18(22)12-16)25-8-10-26(11-9-25)20-4-2-3-7-23-20/h2-7,12,17H,8-11,13-14H2,1H3,(H,24,28)
InChIKey
BXUCYYQHKCMHKS-UHFFFAOYSA-N
Compound name
N-[[3-[3-fluoro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

413.1863 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19358 200.5
[M+Na]+ 436.17552 205.1
[M-H]- 412.17902 206.7
[M+NH4]+ 431.22012 204.5
[M+K]+ 452.14946 200.1
[M+H-H2O]+ 396.18356 186.8
[M+HCOO]- 458.18450 212.1
[M+CH3COO]- 472.20015 207.0
[M+Na-2H]- 434.16097 197.2
[M]+ 413.18575 195.4
[M]- 413.18685 195.4
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