CID 5278858

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

Structural Information

Molecular Formula
C24H25Cl2N5O4
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)Cl
InChI
InChI=1S/C24H25Cl2N5O4/c1-24(14-30-13-22(31(32)33)28-23(30)35-24)15-34-19-5-3-18(4-6-19)29-10-8-17(9-11-29)27-21-7-2-16(25)12-20(21)26/h2-7,12-13,17,27H,8-11,14-15H2,1H3/t24-/m1/s1
InChIKey
FPVSZJZJKWLWIA-XMMPIXPASA-N
Compound name
N-(2,4-dichlorophenyl)-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

517.12836 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.13564 221.2
[M+Na]+ 540.11758 225.1
[M-H]- 516.12108 230.0
[M+NH4]+ 535.16218 227.3
[M+K]+ 556.09152 216.0
[M+H-H2O]+ 500.12562 214.0
[M+HCOO]- 562.12656 227.2
[M+CH3COO]- 576.14221 235.1
[M+Na-2H]- 538.10303 220.8
[M]+ 517.12781 221.8
[M]- 517.12891 221.8
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.