CID 5278883

(2r)-2-methyl-6-nitro-2-[[4-[4-[[5-(trifluoromethoxy)benzofuran-2-yl]methyl]piperazin-1-yl]phenoxy]methyl]-3h-imidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C27H26F3N5O6
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCN(CC4)CC5=CC6=C(O5)C=CC(=C6)OC(F)(F)F
InChI
InChI=1S/C27H26F3N5O6/c1-26(16-34-15-24(35(36)37)31-25(34)41-26)17-38-20-4-2-19(3-5-20)33-10-8-32(9-11-33)14-22-13-18-12-21(40-27(28,29)30)6-7-23(18)39-22/h2-7,12-13,15H,8-11,14,16-17H2,1H3/t26-/m1/s1
InChIKey
ANIXTCARKZJKBH-AREMUKBSSA-N
Compound name
(2R)-2-methyl-6-nitro-2-[[4-[4-[[5-(trifluoromethoxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.18353 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.19081 224.5
[M+Na]+ 596.17275 229.3
[M-H]- 572.17625 232.9
[M+NH4]+ 591.21735 227.5
[M+K]+ 612.14669 222.8
[M+H-H2O]+ 556.18079 216.6
[M+HCOO]- 618.18173 233.7
[M+CH3COO]- 632.19738 244.0
[M+Na-2H]- 594.15820 225.4
[M]+ 573.18298 224.6
[M]- 573.18408 224.6
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.