CID 5278905

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

Structural Information

Molecular Formula
C26H28ClFN4O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)COCC5=C(C=C(C=C5)F)Cl
InChI
InChI=1S/C26H28ClFN4O5/c1-26(16-31-13-24(32(33)34)29-25(31)37-26)17-36-22-6-4-21(5-7-22)30-10-8-18(9-11-30)14-35-15-19-2-3-20(28)12-23(19)27/h2-7,12-13,18H,8-11,14-17H2,1H3/t26-/m1/s1
InChIKey
SMTLVPBTFYMRJH-AREMUKBSSA-N
Compound name
(2R)-2-[[4-[4-[(2-chloro-4-fluorophenyl)methoxymethyl]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

530.1732 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.18048 225.4
[M+Na]+ 553.16242 229.2
[M-H]- 529.16592 233.8
[M+NH4]+ 548.20702 230.7
[M+K]+ 569.13636 220.3
[M+H-H2O]+ 513.17046 217.0
[M+HCOO]- 575.17140 234.0
[M+CH3COO]- 589.18705 237.0
[M+Na-2H]- 551.14787 223.8
[M]+ 530.17265 226.2
[M]- 530.17375 226.2
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.