CID 5278890

4-piperidinamine, 1-[4-[[(2r)-2,3-dihydro-2-methyl-6-nitroimidazo[2,1-b]oxazol-2-yl]methoxy]phenyl]-n-methyl-n-[4-(trifluoromethoxy)phenyl]-

Structural Information

Molecular Formula
C26H28F3N5O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)N(C)C5=CC=C(C=C5)OC(F)(F)F
InChI
InChI=1S/C26H28F3N5O5/c1-25(16-33-15-23(34(35)36)30-24(33)39-25)17-37-21-7-5-20(6-8-21)32-13-11-19(12-14-32)31(2)18-3-9-22(10-4-18)38-26(27,28)29/h3-10,15,19H,11-14,16-17H2,1-2H3/t25-/m1/s1
InChIKey
TUKOXSIRRJQVPE-RUZDIDTESA-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-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.2042 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.21148 221.8
[M+Na]+ 570.19342 224.1
[M-H]- 546.19692 229.5
[M+NH4]+ 565.23802 225.8
[M+K]+ 586.16736 217.4
[M+H-H2O]+ 530.20146 212.3
[M+HCOO]- 592.20240 233.1
[M+CH3COO]- 606.21805 245.2
[M+Na-2H]- 568.17887 223.4
[M]+ 547.20365 218.2
[M]- 547.20475 218.2
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

No patent data available for this compound.