CID 5278860

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

Structural Information

Molecular Formula
C25H28ClN5O4
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)N(C)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C25H28ClN5O4/c1-25(16-30-15-23(31(32)33)27-24(30)35-25)17-34-22-8-6-20(7-9-22)29-12-10-19(11-13-29)28(2)21-5-3-4-18(26)14-21/h3-9,14-15,19H,10-13,16-17H2,1-2H3/t25-/m1/s1
InChIKey
WLLXLUMLFRKTHF-RUZDIDTESA-N
Compound name
N-(3-chlorophenyl)-N-methyl-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

497.18298 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.19026 217.4
[M+Na]+ 520.17220 220.2
[M-H]- 496.17570 228.2
[M+NH4]+ 515.21680 224.2
[M+K]+ 536.14614 212.6
[M+H-H2O]+ 480.18024 209.7
[M+HCOO]- 542.18118 228.8
[M+CH3COO]- 556.19683 236.2
[M+Na-2H]- 518.15765 217.5
[M]+ 497.18243 217.7
[M]- 497.18353 217.7
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.