CID 4201093

102346-13-4

Structural Information

Molecular Formula
C22H28O2
SMILES
CC1=CC(=C(C=C1C)O)C2(CC(C3=C(O2)C=C(C(=C3)C)C)(C)C)C
InChI
InChI=1S/C22H28O2/c1-13-8-17(19(23)10-15(13)3)22(7)12-21(5,6)18-9-14(2)16(4)11-20(18)24-22/h8-11,23H,12H2,1-7H3
InChIKey
BWUCXHNBJWCFDR-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-(2,4,4,6,7-pentamethyl-3H-chromen-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.20892 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.216196 176.3
[M+Na]+ 347.198138 187.1
[M-H]- 323.201644 184.5
[M+NH4]+ 342.242743 195.1
[M+K]+ 363.172078 183.5
[M+H-H2O]+ 307.206180 169.7
[M+HCOO]- 369.207121 192.8
[M+CH3COO]- 383.222771 213.6
[M+Na-2H]- 345.183586 179.3
[M]+ 324.20837142 179.4
[M]- 324.20946858 179.4
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.