CID 138594142

Hgr-4113

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
1
Annotation Hits

0
References

18
Patents

368.19876 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.206036 190.6
[M+Na]+ 391.187978 197.0
[M-H]- 367.191484 198.2
[M+NH4]+ 386.232583 203.6
[M+K]+ 407.161918 194.7
[M+H-H2O]+ 351.196020 181.4
[M+HCOO]- 413.196961 202.6
[M+CH3COO]- 427.212611 199.9
[M+Na-2H]- 389.173426 194.2
[M]+ 368.19821142 191.7
[M]- 368.19930858 191.7
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