CID 629585

Heminitidulan

Structural Information

Molecular Formula
C26H30O4
SMILES
CC(=CCCC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)OC)O)C)C
InChI
InChI=1S/C26H30O4/c1-17(2)6-5-12-26(3)13-11-22-24(30-26)10-7-18-14-19(16-29-25(18)22)21-9-8-20(28-4)15-23(21)27/h6-11,13,15,19,27H,5,12,14,16H2,1-4H3
InChIKey
RUYCHAPZLGACHW-UHFFFAOYSA-N
Compound name
5-methoxy-2-[8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.21442 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22170 202.7
[M+Na]+ 429.20364 208.7
[M-H]- 405.20714 210.2
[M+NH4]+ 424.24824 214.0
[M+K]+ 445.17758 205.7
[M+H-H2O]+ 389.21168 193.1
[M+HCOO]- 451.21262 214.2
[M+CH3COO]- 465.22827 225.7
[M+Na-2H]- 427.18909 204.5
[M]+ 406.21387 204.7
[M]- 406.21497 204.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.