CID 3087797

Brn 3629721

Structural Information

Molecular Formula
C26H28O3
SMILES
CCCOC1=CC=CC=C1C(C2=CC=CC=C2OCCC)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H28O3/c1-3-18-28-23-16-10-8-14-21(23)25(26(27)20-12-6-5-7-13-20)22-15-9-11-17-24(22)29-19-4-2/h5-17,25H,3-4,18-19H2,1-2H3
InChIKey
YXTBVYGWQYMJKL-UHFFFAOYSA-N
Compound name
1-phenyl-2,2-bis(2-propoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.20386 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.21114 198.2
[M+Na]+ 411.19308 201.9
[M-H]- 387.19658 206.6
[M+NH4]+ 406.23768 208.5
[M+K]+ 427.16702 197.0
[M+H-H2O]+ 371.20112 187.5
[M+HCOO]- 433.20206 218.3
[M+CH3COO]- 447.21771 222.8
[M+Na-2H]- 409.17853 198.1
[M]+ 388.20331 201.4
[M]- 388.20441 201.4
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.