CID 6483569

Chembl376416

Structural Information

Molecular Formula
C14H15N3O4
SMILES
CC1=CC=C(C=C1)OC[C@]2(CN3C=C(N=C3O2)[N+](=O)[O-])C
InChI
InChI=1S/C14H15N3O4/c1-10-3-5-11(6-4-10)20-9-14(2)8-16-7-12(17(18)19)15-13(16)21-14/h3-7H,8-9H2,1-2H3/t14-/m1/s1
InChIKey
JPPUXKFAYBUGBC-CQSZACIVSA-N
Compound name
(2R)-2-methyl-2-[(4-methylphenoxy)methyl]-6-nitro-3H-imidazo[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

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11354 163.0
[M+Na]+ 312.09548 171.1
[M-H]- 288.09898 169.6
[M+NH4]+ 307.14008 180.2
[M+K]+ 328.06942 165.7
[M+H-H2O]+ 272.10352 160.3
[M+HCOO]- 334.10446 185.1
[M+CH3COO]- 348.12011 194.1
[M+Na-2H]- 310.08093 169.8
[M]+ 289.10571 165.4
[M]- 289.10681 165.4
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.