CID 5278856

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

Structural Information

Molecular Formula
C25H29N5O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)NC5=CC(=CC=C5)OC
InChI
InChI=1S/C25H29N5O5/c1-25(16-29-15-23(30(31)32)27-24(29)35-25)17-34-21-8-6-20(7-9-21)28-12-10-18(11-13-28)26-19-4-3-5-22(14-19)33-2/h3-9,14-15,18,26H,10-13,16-17H2,1-2H3/t25-/m1/s1
InChIKey
SCICVUWIIMKRKZ-RUZDIDTESA-N
Compound name
N-(3-methoxyphenyl)-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

0
Patents

479.21686 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.22414 209.5
[M+Na]+ 502.20608 211.6
[M-H]- 478.20958 219.6
[M+NH4]+ 497.25068 215.6
[M+K]+ 518.18002 204.4
[M+H-H2O]+ 462.21412 201.9
[M+HCOO]- 524.21506 225.3
[M+CH3COO]- 538.23071 232.1
[M+Na-2H]- 500.19153 211.9
[M]+ 479.21631 207.7
[M]- 479.21741 207.7
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.