CID 5278927

(2r)-2-[[3-[5-(4-chlorophenyl)oxazol-2-yl]phenoxy]methyl]-2-methyl-6-nitro-3h-imidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C22H17ClN4O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=CC(=C3)C4=NC=C(O4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H17ClN4O5/c1-22(12-26-11-19(27(28)29)25-21(26)32-22)13-30-17-4-2-3-15(9-17)20-24-10-18(31-20)14-5-7-16(23)8-6-14/h2-11H,12-13H2,1H3/t22-/m1/s1
InChIKey
VKWQPEOUBYHTQX-JOCHJYFZSA-N
Compound name
(2R)-2-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-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

0
References

0
Patents

452.08875 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.09603 203.0
[M+Na]+ 475.07797 211.5
[M-H]- 451.08147 216.0
[M+NH4]+ 470.12257 212.5
[M+K]+ 491.05191 204.8
[M+H-H2O]+ 435.08601 198.2
[M+HCOO]- 497.08695 219.5
[M+CH3COO]- 511.10260 221.0
[M+Na-2H]- 473.06342 205.5
[M]+ 452.08820 210.1
[M]- 452.08930 210.1
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.