CID 5278849

[1-[4-[[(2r)-2-methyl-6-nitro-3h-imidazo[2,1-b]oxazol-2-yl]methoxy]phenyl]-4-piperidyl] n-(4-chlorophenyl)carbamate

Structural Information

Molecular Formula
C25H26ClN5O6
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC(=O)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C25H26ClN5O6/c1-25(15-30-14-22(31(33)34)28-23(30)37-25)16-35-20-8-6-19(7-9-20)29-12-10-21(11-13-29)36-24(32)27-18-4-2-17(26)3-5-18/h2-9,14,21H,10-13,15-16H2,1H3,(H,27,32)/t25-/m1/s1
InChIKey
SMAZVQVORDFHMV-RUZDIDTESA-N
Compound name
[1-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]piperidin-4-yl] N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.15717 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.16445 219.6
[M+Na]+ 550.14639 221.6
[M-H]- 526.14989 229.5
[M+NH4]+ 545.19099 224.4
[M+K]+ 566.12033 214.5
[M+H-H2O]+ 510.15443 212.6
[M+HCOO]- 572.15537 230.1
[M+CH3COO]- 586.17102 236.3
[M+Na-2H]- 548.13184 220.7
[M]+ 527.15662 220.1
[M]- 527.15772 220.1
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.