CID 5278882

(2r)-2-[[4-[4-[(6-chlorobenzofuran-2-yl)methyl]piperazin-1-yl]phenoxy]methyl]-2-methyl-6-nitro-3h-imidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C26H26ClN5O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCN(CC4)CC5=CC6=C(O5)C=C(C=C6)Cl
InChI
InChI=1S/C26H26ClN5O5/c1-26(16-31-15-24(32(33)34)28-25(31)37-26)17-35-21-6-4-20(5-7-21)30-10-8-29(9-11-30)14-22-12-18-2-3-19(27)13-23(18)36-22/h2-7,12-13,15H,8-11,14,16-17H2,1H3/t26-/m1/s1
InChIKey
DDOCVHIOTKTCOA-AREMUKBSSA-N
Compound name
(2R)-2-[[4-[4-[(6-chloro-1-benzofuran-2-yl)methyl]piperazin-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

523.16223 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.16951 220.6
[M+Na]+ 546.15145 225.9
[M-H]- 522.15495 231.8
[M+NH4]+ 541.19605 226.3
[M+K]+ 562.12539 218.6
[M+H-H2O]+ 506.15949 213.8
[M+HCOO]- 568.16043 229.6
[M+CH3COO]- 582.17608 235.2
[M+Na-2H]- 544.13690 219.6
[M]+ 523.16168 224.1
[M]- 523.16278 224.1
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.