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
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 190.6
[M+Na]+ 391.18798 197.0
[M-H]- 367.19148 198.2
[M+NH4]+ 386.23258 203.6
[M+K]+ 407.16192 194.7
[M+H-H2O]+ 351.19602 181.4
[M+HCOO]- 413.19696 202.6
[M+CH3COO]- 427.21261 199.9
[M+Na-2H]- 389.17343 194.2
[M]+ 368.19821 191.7
[M]- 368.19931 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