CID 6483573

Chembl219642

Structural Information

Molecular Formula
C18H22N4O4
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCCCC4
InChI
InChI=1S/C18H22N4O4/c1-18(12-21-11-16(22(23)24)19-17(21)26-18)13-25-15-7-5-14(6-8-15)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12-13H2,1H3/t18-/m1/s1
InChIKey
JCZNXGBEHBGSOI-GOSISDBHSA-N
Compound name
(2R)-2-methyl-6-nitro-2-[(4-piperidin-1-ylphenoxy)methyl]-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.1641 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.171376 181.8
[M+Na]+ 381.153318 186.0
[M-H]- 357.156824 188.9
[M+NH4]+ 376.197923 193.8
[M+K]+ 397.127258 179.7
[M+H-H2O]+ 341.161360 176.2
[M+HCOO]- 403.162301 198.1
[M+CH3COO]- 417.177951 206.0
[M+Na-2H]- 379.138766 185.4
[M]+ 358.16355142 179.0
[M]- 358.16464858 179.0
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.