CID 69019086

1196118-15-6

Structural Information

Molecular Formula
C21H18O5
SMILES
CC(=O)OC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC(=O)C
InChI
InChI=1S/C21H18O5/c1-15(22)25-20-11-5-17(6-12-20)3-9-19(24)10-4-18-7-13-21(14-8-18)26-16(2)23/h3-14H,1-2H3
InChIKey
JWPNGCSWZMKZRJ-UHFFFAOYSA-N
Compound name
[4-[5-(4-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

350.11542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12270 181.6
[M+Na]+ 373.10464 187.4
[M-H]- 349.10814 187.8
[M+NH4]+ 368.14924 194.1
[M+K]+ 389.07858 183.6
[M+H-H2O]+ 333.11268 173.1
[M+HCOO]- 395.11362 202.6
[M+CH3COO]- 409.12927 211.5
[M+Na-2H]- 371.09009 181.1
[M]+ 350.11487 185.3
[M]- 350.11597 185.3
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

patents stripe