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]+ 325.21620 176.3
[M+Na]+ 347.19814 187.1
[M-H]- 323.20164 184.5
[M+NH4]+ 342.24274 195.1
[M+K]+ 363.17208 183.5
[M+H-H2O]+ 307.20618 169.7
[M+HCOO]- 369.20712 192.8
[M+CH3COO]- 383.22277 213.6
[M+Na-2H]- 345.18359 179.3
[M]+ 324.20837 179.4
[M]- 324.20947 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.