CID 6483570

Chembl218751

Structural Information

Molecular Formula
C14H15N3O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)OC
InChI
InChI=1S/C14H15N3O5/c1-14(9-21-11-5-3-10(20-2)4-6-11)8-16-7-12(17(18)19)15-13(16)22-14/h3-7H,8-9H2,1-2H3/t14-/m1/s1
InChIKey
PJJPXTPXTJSGQY-CQSZACIVSA-N
Compound name
(2R)-2-[(4-methoxyphenoxy)methyl]-2-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

305.10117 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10845 165.5
[M+Na]+ 328.09039 173.3
[M-H]- 304.09389 172.1
[M+NH4]+ 323.13499 181.9
[M+K]+ 344.06433 168.5
[M+H-H2O]+ 288.09843 162.7
[M+HCOO]- 350.09937 187.7
[M+CH3COO]- 364.11502 196.2
[M+Na-2H]- 326.07584 172.6
[M]+ 305.10062 169.2
[M]- 305.10172 169.2
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.