CID 5278897

N-methyl-1-[4-[[(2r)-2-methyl-6-nitro-3h-imidazo[2,1-b]oxazol-2-yl]methoxy]phenyl]-n-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-amine

Structural Information

Molecular Formula
C28H32F3N5O6
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)N(C)CCOC5=CC=C(C=C5)OC(F)(F)F
InChI
InChI=1S/C28H32F3N5O6/c1-27(18-35-17-25(36(37)38)32-26(35)42-27)19-40-23-5-3-21(4-6-23)34-13-11-20(12-14-34)33(2)15-16-39-22-7-9-24(10-8-22)41-28(29,30)31/h3-10,17,20H,11-16,18-19H2,1-2H3/t27-/m1/s1
InChIKey
KGKJRCSRHBHQGG-HHHXNRCGSA-N
Compound name
N-methyl-1-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]-N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

591.23047 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.23775 232.0
[M+Na]+ 614.21969 232.9
[M-H]- 590.22319 239.3
[M+NH4]+ 609.26429 234.0
[M+K]+ 630.19363 226.8
[M+H-H2O]+ 574.22773 222.2
[M+HCOO]- 636.22867 242.7
[M+CH3COO]- 650.24432 252.8
[M+Na-2H]- 612.20514 233.3
[M]+ 591.22992 230.2
[M]- 591.23102 230.2
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