CID 5278910

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

Structural Information

Molecular Formula
C29H34N4O6
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)COC5=CC6=C(CC(O6)(C)C)C=C5
InChI
InChI=1S/C29H34N4O6/c1-28(2)15-21-4-7-24(14-25(21)38-28)36-17-20-10-12-31(13-11-20)22-5-8-23(9-6-22)37-19-29(3)18-32-16-26(33(34)35)30-27(32)39-29/h4-9,14,16,20H,10-13,15,17-19H2,1-3H3/t29-/m1/s1
InChIKey
QYCYCJURWUIREO-GDLZYMKVSA-N
Compound name
(2R)-2-[[4-[4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)oxymethyl]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

534.24786 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.25514 223.1
[M+Na]+ 557.23708 226.0
[M-H]- 533.24058 235.0
[M+NH4]+ 552.28168 230.7
[M+K]+ 573.21102 220.2
[M+H-H2O]+ 517.24512 217.3
[M+HCOO]- 579.24606 234.7
[M+CH3COO]- 593.26171 240.0
[M+Na-2H]- 555.22253 222.0
[M]+ 534.24731 224.2
[M]- 534.24841 224.2
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.