CID 5278840

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

Structural Information

Molecular Formula
C25H29N5O4
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)N(C)C5=CC=CC=C5
InChI
InChI=1S/C25H29N5O4/c1-25(17-29-16-23(30(31)32)26-24(29)34-25)18-33-22-10-8-21(9-11-22)28-14-12-20(13-15-28)27(2)19-6-4-3-5-7-19/h3-11,16,20H,12-15,17-18H2,1-2H3/t25-/m1/s1
InChIKey
UTVZRFOBEVBTGO-RUZDIDTESA-N
Compound name
N-methyl-1-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]-N-phenylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.22195 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.22923 207.3
[M+Na]+ 486.21117 209.0
[M-H]- 462.21467 218.4
[M+NH4]+ 481.25577 214.5
[M+K]+ 502.18511 202.3
[M+H-H2O]+ 446.21921 199.4
[M+HCOO]- 508.22015 223.5
[M+CH3COO]- 522.23580 231.8
[M+Na-2H]- 484.19662 209.0
[M]+ 463.22140 204.9
[M]- 463.22250 204.9
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.