CID 5467687

Nsc657869

Structural Information

Molecular Formula
C35H32O6
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)/C=C/C(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C35H32O6/c1-38-30-18-10-28(11-19-30)34(36)22-8-26-4-14-32(15-5-26)40-24-3-25-41-33-16-6-27(7-17-33)9-23-35(37)29-12-20-31(39-2)21-13-29/h4-23H,3,24-25H2,1-2H3/b22-8+,23-9+
InChIKey
FIEBVKJFIQEXHC-NZRSMXNRSA-N
Compound name
(E)-1-(4-methoxyphenyl)-3-[4-[3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]propoxy]phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.2199 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.22718 239.0
[M+Na]+ 571.20912 241.4
[M-H]- 547.21262 249.7
[M+NH4]+ 566.25372 241.7
[M+K]+ 587.18306 235.7
[M+H-H2O]+ 531.21716 225.1
[M+HCOO]- 593.21810 257.6
[M+CH3COO]- 607.23375 250.1
[M+Na-2H]- 569.19457 235.3
[M]+ 548.21935 244.5
[M]- 548.22045 244.5
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.