CID 5278918

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

Structural Information

Molecular Formula
C31H37F3N6O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)N5CCC(CC5)N(C)C6=CC=C(C=C6)OC(F)(F)F
InChI
InChI=1S/C31H37F3N6O5/c1-30(20-39-19-28(40(41)42)35-29(39)45-30)21-43-26-7-5-24(6-8-26)37-17-13-25(14-18-37)38-15-11-23(12-16-38)36(2)22-3-9-27(10-4-22)44-31(32,33)34/h3-10,19,23,25H,11-18,20-21H2,1-2H3/t30-/m1/s1
InChIKey
ACLBHHCUSATGII-SSEXGKCCSA-N
Compound name
N-methyl-1-[1-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

630.2778 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.28508 240.5
[M+Na]+ 653.26702 239.2
[M-H]- 629.27052 248.5
[M+NH4]+ 648.31162 238.9
[M+K]+ 669.24096 231.8
[M+H-H2O]+ 613.27506 228.7
[M+HCOO]- 675.27600 245.5
[M+CH3COO]- 689.29165 260.2
[M+Na-2H]- 651.25247 238.5
[M]+ 630.27725 232.6
[M]- 630.27835 232.6
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

No patent data available for this compound.