CID 5278903

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

Structural Information

Molecular Formula
C26H28Cl2N4O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)COCC5=CC(=C(C=C5)Cl)Cl
InChI
InChI=1S/C26H28Cl2N4O5/c1-26(16-31-13-24(32(33)34)29-25(31)37-26)17-36-21-5-3-20(4-6-21)30-10-8-18(9-11-30)14-35-15-19-2-7-22(27)23(28)12-19/h2-7,12-13,18H,8-11,14-17H2,1H3/t26-/m1/s1
InChIKey
YZSZHMUIAABWDE-AREMUKBSSA-N
Compound name
(2R)-2-[[4-[4-[(3,4-dichlorophenyl)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

546.1437 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.15098 230.1
[M+Na]+ 569.13292 233.7
[M-H]- 545.13642 238.7
[M+NH4]+ 564.17752 235.2
[M+K]+ 585.10686 225.0
[M+H-H2O]+ 529.14096 222.6
[M+HCOO]- 591.14190 234.5
[M+CH3COO]- 605.15755 237.9
[M+Na-2H]- 567.11837 227.9
[M]+ 546.14315 233.0
[M]- 546.14425 233.0
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.