CID 5467237

Nsc648891

Structural Information

Molecular Formula
C33H28O4
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)/C=C/C(=O)C4=CC=CC=C4
InChI
InChI=1S/C33H28O4/c34-32(28-8-3-1-4-9-28)22-16-26-12-18-30(19-13-26)36-24-7-25-37-31-20-14-27(15-21-31)17-23-33(35)29-10-5-2-6-11-29/h1-6,8-23H,7,24-25H2/b22-16+,23-17+
InChIKey
PGRWJZWSBPJOHK-LKNRODPVSA-N
Compound name
(E)-3-[4-[3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.19876 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.20604 225.0
[M+Na]+ 511.18798 227.1
[M-H]- 487.19148 235.3
[M+NH4]+ 506.23258 229.8
[M+K]+ 527.16192 219.6
[M+H-H2O]+ 471.19602 211.7
[M+HCOO]- 533.19696 244.0
[M+CH3COO]- 547.21261 237.9
[M+Na-2H]- 509.17343 223.4
[M]+ 488.19821 226.2
[M]- 488.19931 226.2
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.