CID 13994537

Erycristin

Structural Information

Molecular Formula
C26H30O4
SMILES
CC(=CCC1=CC2=C(C=C1O)OCC3C2OC4=C3C=CC(=C4CC=C(C)C)OC)C
InChI
InChI=1S/C26H30O4/c1-15(2)6-8-17-12-20-24(13-22(17)27)29-14-21-18-10-11-23(28-5)19(9-7-16(3)4)25(18)30-26(20)21/h6-7,10-13,21,26-27H,8-9,14H2,1-5H3
InChIKey
OFTVQUQKDYNGED-UHFFFAOYSA-N
Compound name
9-methoxy-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.21442 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22170 204.0
[M+Na]+ 429.20364 210.6
[M-H]- 405.20714 209.6
[M+NH4]+ 424.24824 216.8
[M+K]+ 445.17758 206.7
[M+H-H2O]+ 389.21168 197.4
[M+HCOO]- 451.21262 215.2
[M+CH3COO]- 465.22827 228.3
[M+Na-2H]- 427.18909 201.8
[M]+ 406.21387 208.3
[M]- 406.21497 208.3
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.