CID 5278924

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

Structural Information

Molecular Formula
C29H28F3N5O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC4=C(C=C3)N=C(C=C4)N5CCC(CC5)CC6=CC=C(C=C6)OC(F)(F)F
InChI
InChI=1S/C29H28F3N5O5/c1-28(17-36-16-26(37(38)39)34-27(36)42-28)18-40-23-7-8-24-21(15-23)4-9-25(33-24)35-12-10-20(11-13-35)14-19-2-5-22(6-3-19)41-29(30,31)32/h2-9,15-16,20H,10-14,17-18H2,1H3/t28-/m1/s1
InChIKey
SVPKEIKNYLKWAX-MUUNZHRXSA-N
Compound name
(2R)-2-methyl-6-nitro-2-[[2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-6-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

583.2042 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.21148 233.2
[M+Na]+ 606.19342 237.4
[M-H]- 582.19692 239.7
[M+NH4]+ 601.23802 234.9
[M+K]+ 622.16736 228.1
[M+H-H2O]+ 566.20146 221.9
[M+HCOO]- 628.20240 241.1
[M+CH3COO]- 642.21805 247.2
[M+Na-2H]- 604.17887 234.9
[M]+ 583.20365 230.6
[M]- 583.20475 230.6
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