CID 23448308

23911-80-0

Structural Information

Molecular Formula
C30H26O6
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCCCOC3=CC(=C(C=C3)C(=O)C4=CC=CC=C4)O)O
InChI
InChI=1S/C30H26O6/c31-27-19-23(13-15-25(27)29(33)21-9-3-1-4-10-21)35-17-7-8-18-36-24-14-16-26(28(32)20-24)30(34)22-11-5-2-6-12-22/h1-6,9-16,19-20,31-32H,7-8,17-18H2
InChIKey
XTXAZHSPVHPNSL-UHFFFAOYSA-N
Compound name
[4-[4-(4-benzoyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

370
Patents

482.17294 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.180216 217.7
[M+Na]+ 505.162158 220.8
[M-H]- 481.165664 226.7
[M+NH4]+ 500.206763 221.9
[M+K]+ 521.136098 215.7
[M+H-H2O]+ 465.170200 205.4
[M+HCOO]- 527.171141 234.8
[M+CH3COO]- 541.186791 234.4
[M+Na-2H]- 503.147606 216.1
[M]+ 482.17239142 219.8
[M]- 482.17348858 219.8
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