CID 5278845

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

Structural Information

Molecular Formula
C25H34N4O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OCC5CCCCC5
InChI
InChI=1S/C25H34N4O5/c1-25(17-28-15-23(29(30)31)26-24(28)34-25)18-33-21-9-7-20(8-10-21)27-13-11-22(12-14-27)32-16-19-5-3-2-4-6-19/h7-10,15,19,22H,2-6,11-14,16-18H2,1H3/t25-/m1/s1
InChIKey
MDINQKLEYQVCJX-RUZDIDTESA-N
Compound name
(2R)-2-[[4-[4-(cyclohexylmethoxy)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

470.25293 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.26021 211.5
[M+Na]+ 493.24215 210.8
[M-H]- 469.24565 219.9
[M+NH4]+ 488.28675 217.8
[M+K]+ 509.21609 204.0
[M+H-H2O]+ 453.25019 203.8
[M+HCOO]- 515.25113 222.1
[M+CH3COO]- 529.26678 227.1
[M+Na-2H]- 491.22760 210.2
[M]+ 470.25238 205.7
[M]- 470.25348 205.7
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.