CID 6483574

Chembl218543

Structural Information

Molecular Formula
C17H20N4O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCOCC4
InChI
InChI=1S/C17H20N4O5/c1-17(11-20-10-15(21(22)23)18-16(20)26-17)12-25-14-4-2-13(3-5-14)19-6-8-24-9-7-19/h2-5,10H,6-9,11-12H2,1H3/t17-/m1/s1
InChIKey
DZQQLJLOVPBPAW-QGZVFWFLSA-N
Compound name
(2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)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

360.14337 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15065 179.8
[M+Na]+ 383.13259 184.4
[M-H]- 359.13609 187.7
[M+NH4]+ 378.17719 190.3
[M+K]+ 399.10653 179.7
[M+H-H2O]+ 343.14063 174.8
[M+HCOO]- 405.14157 195.6
[M+CH3COO]- 419.15722 205.7
[M+Na-2H]- 381.11804 184.6
[M]+ 360.14282 178.7
[M]- 360.14392 178.7
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.