CID 5278909

(2r)-2-methyl-2-[[4-[4-(2-naphthyloxymethyl)-1-piperidyl]phenoxy]methyl]-6-nitro-3h-imidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C29H30N4O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)COC5=CC6=CC=CC=C6C=C5
InChI
InChI=1S/C29H30N4O5/c1-29(19-32-17-27(33(34)35)30-28(32)38-29)20-37-25-10-7-24(8-11-25)31-14-12-21(13-15-31)18-36-26-9-6-22-4-2-3-5-23(22)16-26/h2-11,16-17,21H,12-15,18-20H2,1H3/t29-/m1/s1
InChIKey
GACFYKDPSAGPAK-GDLZYMKVSA-N
Compound name
(2R)-2-methyl-2-[[4-[4-(naphthalen-2-yloxymethyl)piperidin-1-yl]phenoxy]methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.2216 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.22888 220.8
[M+Na]+ 537.21082 223.7
[M-H]- 513.21432 231.5
[M+NH4]+ 532.25542 226.2
[M+K]+ 553.18476 215.2
[M+H-H2O]+ 497.21886 211.7
[M+HCOO]- 559.21980 234.7
[M+CH3COO]- 573.23545 236.3
[M+Na-2H]- 535.19627 222.6
[M]+ 514.22105 220.4
[M]- 514.22215 220.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.