CID 5278889

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

Structural Information

Molecular Formula
C25H26F3N5O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)NC5=CC=C(C=C5)OC(F)(F)F
InChI
InChI=1S/C25H26F3N5O5/c1-24(15-32-14-22(33(34)35)30-23(32)38-24)16-36-20-8-4-19(5-9-20)31-12-10-18(11-13-31)29-17-2-6-21(7-3-17)37-25(26,27)28/h2-9,14,18,29H,10-13,15-16H2,1H3/t24-/m1/s1
InChIKey
VWQGONNJWLERMS-XMMPIXPASA-N
Compound name
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

533.1886 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.19588 216.8
[M+Na]+ 556.17782 219.5
[M-H]- 532.18132 223.4
[M+NH4]+ 551.22242 220.9
[M+K]+ 572.15176 211.7
[M+H-H2O]+ 516.18586 207.5
[M+HCOO]- 578.18680 228.0
[M+CH3COO]- 592.20245 239.4
[M+Na-2H]- 554.16327 219.7
[M]+ 533.18805 211.9
[M]- 533.18915 211.9
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.