CID 5278928

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

Structural Information

Molecular Formula
C24H24F3N5O6
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CN=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F
InChI
InChI=1S/C24H24F3N5O6/c1-23(14-31-13-21(32(33)34)29-22(31)38-23)15-35-19-6-7-20(28-12-19)30-10-8-17(9-11-30)36-16-2-4-18(5-3-16)37-24(25,26)27/h2-7,12-13,17H,8-11,14-15H2,1H3/t23-/m1/s1
InChIKey
CMWVXQJEOARCLI-HSZRJFAPSA-N
Compound name
(2R)-2-methyl-6-nitro-2-[[6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyridin-3-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

535.16785 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.17513 217.2
[M+Na]+ 558.15707 220.8
[M-H]- 534.16057 222.9
[M+NH4]+ 553.20167 220.0
[M+K]+ 574.13101 213.7
[M+H-H2O]+ 518.16511 207.3
[M+HCOO]- 580.16605 226.5
[M+CH3COO]- 594.18170 236.4
[M+Na-2H]- 556.14252 219.7
[M]+ 535.16730 214.1
[M]- 535.16840 214.1
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

patents stripe