CID 138594142

Hgr4113

Structural Information

Molecular Formula
C23H28O4
SMILES
CCCOC1=CC(=C(C=C1)[C@H]2CC3=C(C4=C(C=C3)OC(CC4)(C)C)OC2)O
InChI
InChI=1S/C23H28O4/c1-4-11-25-17-6-7-18(20(24)13-17)16-12-15-5-8-21-19(22(15)26-14-16)9-10-23(2,3)27-21/h5-8,13,16,24H,4,9-12,14H2,1-3H3/t16-/m0/s1
InChIKey
YRAYVWBUDKTGQK-INIZCTEOSA-N
Compound name
2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

368.19876 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20604 189.9
[M+Na]+ 391.18798 204.6
[M+NH4]+ 386.23258 200.0
[M+K]+ 407.16192 194.6
[M-H]- 367.19148 197.8
[M+Na-2H]- 389.17343 195.4
[M]+ 368.19821 194.7
[M]- 368.19931 194.7
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