CID 5278864

(2r)-2-[[4-[4-[(e)-3-[4-chloro-3-(trifluoromethyl)phenyl]allyl]piperazin-1-yl]phenoxy]methyl]-2-methyl-6-nitro-3h-imidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C27H27ClF3N5O4
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCN(CC4)C/C=C/C5=CC(=C(C=C5)Cl)C(F)(F)F
InChI
InChI=1S/C27H27ClF3N5O4/c1-26(17-35-16-24(36(37)38)32-25(35)40-26)18-39-21-7-5-20(6-8-21)34-13-11-33(12-14-34)10-2-3-19-4-9-23(28)22(15-19)27(29,30)31/h2-9,15-16H,10-14,17-18H2,1H3/b3-2+/t26-/m1/s1
InChIKey
DWZIQZUVAFNULX-DXPVHIICSA-N
Compound name
(2R)-2-[[4-[4-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]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

577.17035 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.17763 235.1
[M+Na]+ 600.15957 239.5
[M-H]- 576.16307 239.9
[M+NH4]+ 595.20417 237.4
[M+K]+ 616.13351 228.8
[M+H-H2O]+ 560.16761 224.7
[M+HCOO]- 622.16855 238.4
[M+CH3COO]- 636.18420 243.7
[M+Na-2H]- 598.14502 233.5
[M]+ 577.16980 232.1
[M]- 577.17090 232.1
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.