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

10
Patents

350.11542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.122696 181.6
[M+Na]+ 373.104638 187.4
[M-H]- 349.108144 187.8
[M+NH4]+ 368.149243 194.1
[M+K]+ 389.078578 183.6
[M+H-H2O]+ 333.112680 173.1
[M+HCOO]- 395.113621 202.6
[M+CH3COO]- 409.129271 211.5
[M+Na-2H]- 371.090086 181.1
[M]+ 350.11487142 185.3
[M]- 350.11596858 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