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]+ 306.108446 165.5
[M+Na]+ 328.090388 173.3
[M-H]- 304.093894 172.1
[M+NH4]+ 323.134993 181.9
[M+K]+ 344.064328 168.5
[M+H-H2O]+ 288.098430 162.7
[M+HCOO]- 350.099371 187.7
[M+CH3COO]- 364.115021 196.2
[M+Na-2H]- 326.075836 172.6
[M]+ 305.10062142 169.2
[M]- 305.10171858 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.