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]+ 290.113536 163.0
[M+Na]+ 312.095478 171.1
[M-H]- 288.098984 169.6
[M+NH4]+ 307.140083 180.2
[M+K]+ 328.069418 165.7
[M+H-H2O]+ 272.103520 160.3
[M+HCOO]- 334.104461 185.1
[M+CH3COO]- 348.120111 194.1
[M+Na-2H]- 310.080926 169.8
[M]+ 289.10571142 165.4
[M]- 289.10680858 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.