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]+ 290.113536 164.1
[M+Na]+ 312.095478 170.2
[M-H]- 288.098984 170.0
[M+NH4]+ 307.140083 178.8
[M+K]+ 328.069418 164.7
[M+H-H2O]+ 272.103520 160.4
[M+HCOO]- 334.104461 186.1
[M+CH3COO]- 348.120111 193.5
[M+Na-2H]- 310.080926 170.1
[M]+ 289.10571142 165.6
[M]- 289.10680858 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.