CID 4093363

106954-03-4

Structural Information

Molecular Formula
C22H28O2
SMILES
CCC1=CC(=C(C=C1)C2(CC(C3=C(O2)C=C(C=C3)CC)(C)C)C)O
InChI
InChI=1S/C22H28O2/c1-6-15-8-10-17(19(23)12-15)22(5)14-21(3,4)18-11-9-16(7-2)13-20(18)24-22/h8-13,23H,6-7,14H2,1-5H3
InChIKey
HSFAZYGPTTXFGZ-UHFFFAOYSA-N
Compound name
5-ethyl-2-(7-ethyl-2,4,4-trimethyl-3H-chromen-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.20892 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21620 178.7
[M+Na]+ 347.19814 187.6
[M-H]- 323.20164 186.1
[M+NH4]+ 342.24274 196.8
[M+K]+ 363.17208 183.8
[M+H-H2O]+ 307.20618 171.4
[M+HCOO]- 369.20712 195.2
[M+CH3COO]- 383.22277 211.0
[M+Na-2H]- 345.18359 182.7
[M]+ 324.20837 180.8
[M]- 324.20947 180.8
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