CID 5278857

4-piperidinamine, n-[4-chloro-2-(trifluoromethoxy)phenyl]-1-[4-[[(2r)-2,3-dihydro-2-methyl-6-nitroimidazo[2,1-b]oxazol-2-yl]methoxy]phenyl]-

Structural Information

Molecular Formula
C25H25ClF3N5O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)NC5=C(C=C(C=C5)Cl)OC(F)(F)F
InChI
InChI=1S/C25H25ClF3N5O5/c1-24(14-33-13-22(34(35)36)31-23(33)39-24)15-37-19-5-3-18(4-6-19)32-10-8-17(9-11-32)30-20-7-2-16(26)12-21(20)38-25(27,28)29/h2-7,12-13,17,30H,8-11,14-15H2,1H3/t24-/m1/s1
InChIKey
IVBXWAYISCFUSI-XMMPIXPASA-N
Compound name
N-[4-chloro-2-(trifluoromethoxy)phenyl]-1-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.14966 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.15694 225.7
[M+Na]+ 590.13888 229.6
[M-H]- 566.14238 232.2
[M+NH4]+ 585.18348 229.5
[M+K]+ 606.11282 220.9
[M+H-H2O]+ 550.14692 216.8
[M+HCOO]- 612.14786 232.3
[M+CH3COO]- 626.16351 243.9
[M+Na-2H]- 588.12433 227.2
[M]+ 567.14911 223.6
[M]- 567.15021 223.6
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.