CID 11820836

1-[4-[2-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]ethoxy]phenyl]-n-ethoxy-methanimine

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C23H27N3O3/c1-2-28-24-17-19-7-9-20(10-8-19)27-16-13-18-11-14-26(15-12-18)23-25-21-5-3-4-6-22(21)29-23/h3-10,17-18H,2,11-16H2,1H3/b24-17+
InChIKey
RQQBIIXIKPBLDG-JJIBRWJFSA-N
Compound name
(E)-1-[4-[2-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.20523 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 195.0
[M+Na]+ 416.19445 200.4
[M-H]- 392.19795 203.9
[M+NH4]+ 411.23905 204.6
[M+K]+ 432.16839 196.3
[M+H-H2O]+ 376.20249 183.1
[M+HCOO]- 438.20343 214.7
[M+CH3COO]- 452.21908 204.1
[M+Na-2H]- 414.17990 197.9
[M]+ 393.20468 198.1
[M]- 393.20578 198.1
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.