CID 5278907

(2r)-2-[[4-[4-[(2-fluoro-5-methyl-phenoxy)methyl]-1-piperidyl]phenoxy]methyl]-2-methyl-6-nitro-3h-imidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C26H29FN4O5
SMILES
CC1=CC(=C(C=C1)F)OCC2CCN(CC2)C3=CC=C(C=C3)OC[C@]4(CN5C=C(N=C5O4)[N+](=O)[O-])C
InChI
InChI=1S/C26H29FN4O5/c1-18-3-8-22(27)23(13-18)34-15-19-9-11-29(12-10-19)20-4-6-21(7-5-20)35-17-26(2)16-30-14-24(31(32)33)28-25(30)36-26/h3-8,13-14,19H,9-12,15-17H2,1-2H3/t26-/m1/s1
InChIKey
SQPKXPLNASYIDP-AREMUKBSSA-N
Compound name
(2R)-2-[[4-[4-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.2122 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.21948 217.4
[M+Na]+ 519.20142 221.0
[M-H]- 495.20492 226.4
[M+NH4]+ 514.24602 223.4
[M+K]+ 535.17536 213.0
[M+H-H2O]+ 479.20946 209.1
[M+HCOO]- 541.21040 230.8
[M+CH3COO]- 555.22605 233.7
[M+Na-2H]- 517.18687 216.6
[M]+ 496.21165 216.0
[M]- 496.21275 216.0
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.