CID 5278892

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

Structural Information

Molecular Formula
C27H29F4N5O4
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)N(C)CC5=C(C=C(C=C5)C(F)(F)F)F
InChI
InChI=1S/C27H29F4N5O4/c1-26(16-35-15-24(36(37)38)32-25(35)40-26)17-39-22-7-5-21(6-8-22)34-11-9-20(10-12-34)33(2)14-18-3-4-19(13-23(18)28)27(29,30)31/h3-8,13,15,20H,9-12,14,16-17H2,1-2H3/t26-/m1/s1
InChIKey
SKBHDICFPRAKGR-AREMUKBSSA-N
Compound name
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

563.2156 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.22288 228.0
[M+Na]+ 586.20482 231.2
[M-H]- 562.20832 234.5
[M+NH4]+ 581.24942 231.7
[M+K]+ 602.17876 223.0
[M+H-H2O]+ 546.21286 217.7
[M+HCOO]- 608.21380 237.7
[M+CH3COO]- 622.22945 249.6
[M+Na-2H]- 584.19027 227.4
[M]+ 563.21505 222.8
[M]- 563.21615 222.8
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

patents stripe