CID 11820835

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

Structural Information

Molecular Formula
C22H25N3O3
SMILES
CO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C22H25N3O3/c1-26-23-16-18-6-8-19(9-7-18)27-15-12-17-10-13-25(14-11-17)22-24-20-4-2-3-5-21(20)28-22/h2-9,16-17H,10-15H2,1H3/b23-16+
InChIKey
IDOUKEWZUVWQGJ-XQNSMLJCSA-N
Compound name
(E)-1-[4-[2-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1896 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 190.5
[M+Na]+ 402.17882 196.4
[M-H]- 378.18232 199.6
[M+NH4]+ 397.22342 200.7
[M+K]+ 418.15276 192.5
[M+H-H2O]+ 362.18686 178.8
[M+HCOO]- 424.18780 210.6
[M+CH3COO]- 438.20345 200.1
[M+Na-2H]- 400.16427 194.0
[M]+ 379.18905 193.4
[M]- 379.19015 193.4
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.