CID 5278900

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

Structural Information

Molecular Formula
C26H29ClN4O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)COCC5=CC=CC=C5Cl
InChI
InChI=1S/C26H29ClN4O5/c1-26(17-30-14-24(31(32)33)28-25(30)36-26)18-35-22-8-6-21(7-9-22)29-12-10-19(11-13-29)15-34-16-20-4-2-3-5-23(20)27/h2-9,14,19H,10-13,15-18H2,1H3/t26-/m1/s1
InChIKey
UGVZZEIIZASBJT-AREMUKBSSA-N
Compound name
(2R)-2-[[4-[4-[(2-chlorophenyl)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

512.1826 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.18988 222.4
[M+Na]+ 535.17182 225.2
[M-H]- 511.17532 231.7
[M+NH4]+ 530.21642 228.2
[M+K]+ 551.14576 216.9
[M+H-H2O]+ 495.17986 214.6
[M+HCOO]- 557.18080 232.0
[M+CH3COO]- 571.19645 233.3
[M+Na-2H]- 533.15727 221.9
[M]+ 512.18205 223.5
[M]- 512.18315 223.5
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.