CID 5278859

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

Structural Information

Molecular Formula
C25H25ClF3N5O4
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)NC5=C(C=C(C=C5)C(F)(F)F)Cl
InChI
InChI=1S/C25H25ClF3N5O4/c1-24(14-33-13-22(34(35)36)31-23(33)38-24)15-37-19-5-3-18(4-6-19)32-10-8-17(9-11-32)30-21-7-2-16(12-20(21)26)25(27,28)29/h2-7,12-13,17,30H,8-11,14-15H2,1H3/t24-/m1/s1
InChIKey
LEAOSIKRYXABLS-XMMPIXPASA-N
Compound name
N-[2-chloro-4-(trifluoromethyl)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

551.1547 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.16198 224.3
[M+Na]+ 574.14392 228.6
[M-H]- 550.14742 230.7
[M+NH4]+ 569.18852 228.8
[M+K]+ 590.11786 219.0
[M+H-H2O]+ 534.15196 215.3
[M+HCOO]- 596.15290 230.7
[M+CH3COO]- 610.16855 241.8
[M+Na-2H]- 572.12937 225.1
[M]+ 551.15415 220.9
[M]- 551.15525 220.9
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.