CID 5278921

(2r)-2-methyl-6-nitro-2-[[4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]phenyl]phenoxy]methyl]-3h-imidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C31H30F3N5O4
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)C4=CC=C(C=C4)N5CCN(CC5)CC6=CC=C(C=C6)C(F)(F)F
InChI
InChI=1S/C31H30F3N5O4/c1-30(20-38-19-28(39(40)41)35-29(38)43-30)21-42-27-12-6-24(7-13-27)23-4-10-26(11-5-23)37-16-14-36(15-17-37)18-22-2-8-25(9-3-22)31(32,33)34/h2-13,19H,14-18,20-21H2,1H3/t30-/m1/s1
InChIKey
OQAJHQMCJBELOZ-SSEXGKCCSA-N
Compound name
(2R)-2-methyl-6-nitro-2-[[4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]phenyl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

593.225 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.23228 237.5
[M+Na]+ 616.21422 240.3
[M-H]- 592.21772 245.6
[M+NH4]+ 611.25882 237.5
[M+K]+ 632.18816 230.1
[M+H-H2O]+ 576.22226 225.3
[M+HCOO]- 638.22320 244.9
[M+CH3COO]- 652.23885 249.3
[M+Na-2H]- 614.19967 236.4
[M]+ 593.22445 231.7
[M]- 593.22555 231.7
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