CID 3047882

63868-57-5

Structural Information

Molecular Formula
C26H27NO5
SMILES
COC1=C(C=C(C=C1OCC2=CC=CC=C2)C(=O)N3CCOCC3)OCC4=CC=CC=C4
InChI
InChI=1S/C26H27NO5/c1-29-25-23(31-18-20-8-4-2-5-9-20)16-22(26(28)27-12-14-30-15-13-27)17-24(25)32-19-21-10-6-3-7-11-21/h2-11,16-17H,12-15,18-19H2,1H3
InChIKey
SYFZORWSQSMBEA-UHFFFAOYSA-N
Compound name
[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.18893 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.19621 206.0
[M+Na]+ 456.17815 208.8
[M-H]- 432.18165 216.3
[M+NH4]+ 451.22275 211.0
[M+K]+ 472.15209 205.9
[M+H-H2O]+ 416.18619 193.0
[M+HCOO]- 478.18713 222.0
[M+CH3COO]- 492.20278 226.8
[M+Na-2H]- 454.16360 206.7
[M]+ 433.18838 206.8
[M]- 433.18948 206.8
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.