CID 5278835

(r)-2-methyl-6-nitro-2-(2-(4-(4-trifluoromethoxybenzyl)-piperazine-1-yl)benzothiazole-6-yloxymethyl)-2,3-dihydroimidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C26H25F3N6O5S
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC4=C(C=C3)N=C(S4)N5CCN(CC5)CC6=CC=C(C=C6)OC(F)(F)F
InChI
InChI=1S/C26H25F3N6O5S/c1-25(15-34-14-22(35(36)37)31-23(34)40-25)16-38-19-6-7-20-21(12-19)41-24(30-20)33-10-8-32(9-11-33)13-17-2-4-18(5-3-17)39-26(27,28)29/h2-7,12,14H,8-11,13,15-16H2,1H3/t25-/m1/s1
InChIKey
SKTYPRXUSTZKLI-RUZDIDTESA-N
Compound name
(2R)-2-methyl-6-nitro-2-[[2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3-benzothiazol-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

590.15594 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.16322 226.1
[M+Na]+ 613.14516 232.1
[M-H]- 589.14866 233.2
[M+NH4]+ 608.18976 229.7
[M+K]+ 629.11910 224.3
[M+H-H2O]+ 573.15320 219.2
[M+HCOO]- 635.15414 231.8
[M+CH3COO]- 649.16979 244.2
[M+Na-2H]- 611.13061 226.5
[M]+ 590.15539 227.1
[M]- 590.15649 227.1
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