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]+ 359.17138 181.8
[M+Na]+ 381.15332 186.0
[M-H]- 357.15682 188.9
[M+NH4]+ 376.19792 193.8
[M+K]+ 397.12726 179.7
[M+H-H2O]+ 341.16136 176.2
[M+HCOO]- 403.16230 198.1
[M+CH3COO]- 417.17795 206.0
[M+Na-2H]- 379.13877 185.4
[M]+ 358.16355 179.0
[M]- 358.16465 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.