CID 5278855

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

Structural Information

Molecular Formula
C24H26ClN5O4
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)NC5=CC(=CC=C5)Cl
InChI
InChI=1S/C24H26ClN5O4/c1-24(15-29-14-22(30(31)32)27-23(29)34-24)16-33-21-7-5-20(6-8-21)28-11-9-18(10-12-28)26-19-4-2-3-17(25)13-19/h2-8,13-14,18,26H,9-12,15-16H2,1H3/t24-/m1/s1
InChIKey
JWKLLKQHXKVLMS-XMMPIXPASA-N
Compound name
N-(3-chlorophenyl)-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

483.16733 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.17461 212.5
[M+Na]+ 506.15655 215.7
[M-H]- 482.16005 222.1
[M+NH4]+ 501.20115 219.3
[M+K]+ 522.13049 206.9
[M+H-H2O]+ 466.16459 205.0
[M+HCOO]- 528.16553 223.7
[M+CH3COO]- 542.18118 230.4
[M+Na-2H]- 504.14200 213.9
[M]+ 483.16678 211.3
[M]- 483.16788 211.3
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.