CID 16099120

Chembl216999

Structural Information

Molecular Formula
C14H15N3O4
SMILES
C1C(OC2=NC(=CN21)[N+](=O)[O-])COCCC3=CC=CC=C3
InChI
InChI=1S/C14H15N3O4/c18-17(19)13-9-16-8-12(21-14(16)15-13)10-20-7-6-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2
InChIKey
XLMIQCAWSMZVKQ-UHFFFAOYSA-N
Compound name
6-nitro-2-(2-phenylethoxymethyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.10626 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11354 164.1
[M+Na]+ 312.09548 170.2
[M-H]- 288.09898 170.0
[M+NH4]+ 307.14008 178.8
[M+K]+ 328.06942 164.7
[M+H-H2O]+ 272.10352 160.4
[M+HCOO]- 334.10446 186.1
[M+CH3COO]- 348.12011 193.5
[M+Na-2H]- 310.08093 170.1
[M]+ 289.10571 165.6
[M]- 289.10681 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.