CID 6364717

Ccg-1737

Structural Information

Molecular Formula
C28H27NO3
SMILES
CC(=O)OC1=CC=CC=C1/C(=C/C=C(C2=CC=CC=C2)C3=CC=CC=C3)/N4CCOCC4
InChI
InChI=1S/C28H27NO3/c1-22(30)32-28-15-9-8-14-26(28)27(29-18-20-31-21-19-29)17-16-25(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-17H,18-21H2,1H3/b27-17-
InChIKey
JYWONHWIYFHFGV-PKAZHMFMSA-N
Compound name
[2-[(1Z)-1-morpholin-4-yl-4,4-diphenylbuta-1,3-dienyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

425.1991 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.206376 206.5
[M+Na]+ 448.188318 207.1
[M-H]- 424.191824 215.8
[M+NH4]+ 443.232923 211.3
[M+K]+ 464.162258 202.1
[M+H-H2O]+ 408.196360 193.9
[M+HCOO]- 470.197301 219.9
[M+CH3COO]- 484.212951 212.6
[M+Na-2H]- 446.173766 205.2
[M]+ 425.19855142 201.7
[M]- 425.19964858 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.