CID 117076

Dtxsid3072298

Structural Information

Molecular Formula
C25H32O3
SMILES
CCCCCOC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OCCCCC
InChI
InChI=1S/C25H32O3/c1-3-5-7-19-27-23-14-9-21(10-15-23)11-18-25(26)22-12-16-24(17-13-22)28-20-8-6-4-2/h9-18H,3-8,19-20H2,1-2H3
InChIKey
PADUGTPNVYTAOQ-UHFFFAOYSA-N
Compound name
1,3-bis(4-pentoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.23514 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.24242 198.0
[M+Na]+ 403.22436 201.7
[M-H]- 379.22786 203.0
[M+NH4]+ 398.26896 209.5
[M+K]+ 419.19830 196.3
[M+H-H2O]+ 363.23240 188.3
[M+HCOO]- 425.23334 218.5
[M+CH3COO]- 439.24899 221.7
[M+Na-2H]- 401.20981 197.3
[M]+ 380.23459 203.7
[M]- 380.23569 203.7
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