CID 6483579

Chembl219640

Structural Information

Molecular Formula
C24H25ClN4O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H25ClN4O5/c1-24(15-28-14-22(29(30)31)26-23(28)34-24)16-32-19-8-4-18(5-9-19)27-12-10-21(11-13-27)33-20-6-2-17(25)3-7-20/h2-9,14,21H,10-13,15-16H2,1H3/t24-/m1/s1
InChIKey
AKNCGQAEIOXCDV-XMMPIXPASA-N
Compound name
(2R)-2-[[4-[4-(4-chlorophenoxy)piperidin-1-yl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

484.15134 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.15862 213.6
[M+Na]+ 507.14056 217.5
[M-H]- 483.14406 223.4
[M+NH4]+ 502.18516 220.7
[M+K]+ 523.11450 209.5
[M+H-H2O]+ 467.14860 206.3
[M+HCOO]- 529.14954 224.0
[M+CH3COO]- 543.16519 227.6
[M+Na-2H]- 505.12601 214.1
[M]+ 484.15079 214.3
[M]- 484.15189 214.3
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.