CID 66647880

924626-15-3

Structural Information

Molecular Formula
C20H20O3
SMILES
CC1(C2=CC(=C(C=C2C(=O)C1=CC3=CC=CC=C3)OC)OC)C
InChI
InChI=1S/C20H20O3/c1-20(2)15-12-18(23-4)17(22-3)11-14(15)19(21)16(20)10-13-8-6-5-7-9-13/h5-12H,1-4H3
InChIKey
HBYIQDKCUUZHBO-UHFFFAOYSA-N
Compound name
2-benzylidene-5,6-dimethoxy-3,3-dimethylinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

578
Patents

308.14124 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14852 171.4
[M+Na]+ 331.13046 181.8
[M-H]- 307.13396 180.0
[M+NH4]+ 326.17506 191.9
[M+K]+ 347.10440 176.9
[M+H-H2O]+ 291.13850 164.9
[M+HCOO]- 353.13944 193.9
[M+CH3COO]- 367.15509 207.0
[M+Na-2H]- 329.11591 173.6
[M]+ 308.14069 175.8
[M]- 308.14179 175.8
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