CID 6483585

Chembl219638

Structural Information

Molecular Formula
C25H25F3N4O6
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC(=CC=C5)OC(F)(F)F
InChI
InChI=1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-7-5-17(6-8-18)30-11-9-19(10-12-30)36-20-3-2-4-21(13-20)37-25(26,27)28/h2-8,13-14,19H,9-12,15-16H2,1H3/t24-/m1/s1
InChIKey
URBKOGAJOULABR-XMMPIXPASA-N
Compound name
(2R)-2-methyl-6-nitro-2-[[4-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

534.1726 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.17988 219.0
[M+Na]+ 557.16182 222.3
[M-H]- 533.16532 225.6
[M+NH4]+ 552.20642 223.2
[M+K]+ 573.13576 215.2
[M+H-H2O]+ 517.16986 209.8
[M+HCOO]- 579.17080 229.2
[M+CH3COO]- 593.18645 236.6
[M+Na-2H]- 555.14727 220.8
[M]+ 534.17205 215.8
[M]- 534.17315 215.8
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.