CID 5278908

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

Structural Information

Molecular Formula
C26H29ClN4O6
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)COC5=C(C=C(C=C5)OC)Cl
InChI
InChI=1S/C26H29ClN4O6/c1-26(16-30-14-24(31(32)33)28-25(30)37-26)17-36-20-5-3-19(4-6-20)29-11-9-18(10-12-29)15-35-23-8-7-21(34-2)13-22(23)27/h3-8,13-14,18H,9-12,15-17H2,1-2H3/t26-/m1/s1
InChIKey
PLINUXQAROGMEY-AREMUKBSSA-N
Compound name
(2R)-2-[[4-[4-[(2-chloro-4-methoxyphenoxy)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

528.17755 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.18483 224.7
[M+Na]+ 551.16677 228.1
[M-H]- 527.17027 234.6
[M+NH4]+ 546.21137 230.1
[M+K]+ 567.14071 220.6
[M+H-H2O]+ 511.17481 217.4
[M+HCOO]- 573.17575 234.5
[M+CH3COO]- 587.19140 236.6
[M+Na-2H]- 549.15222 224.2
[M]+ 528.17700 227.7
[M]- 528.17810 227.7
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.