CID 3471642

8-hexyl-7-[(4-methoxybenzyl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula
C26H30O4
SMILES
CCCCCCC1=CC2=C(C=C1OCC3=CC=C(C=C3)OC)OC(=O)C4=C2CCC4
InChI
InChI=1S/C26H30O4/c1-3-4-5-6-8-19-15-23-21-9-7-10-22(21)26(27)30-25(23)16-24(19)29-17-18-11-13-20(28-2)14-12-18/h11-16H,3-10,17H2,1-2H3
InChIKey
UBQTZFZRFHWQHO-UHFFFAOYSA-N
Compound name
8-hexyl-7-[(4-methoxyphenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.21442 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22170 201.5
[M+Na]+ 429.20364 208.8
[M-H]- 405.20714 210.2
[M+NH4]+ 424.24824 215.0
[M+K]+ 445.17758 204.2
[M+H-H2O]+ 389.21168 192.7
[M+HCOO]- 451.21262 220.3
[M+CH3COO]- 465.22827 226.7
[M+Na-2H]- 427.18909 202.3
[M]+ 406.21387 208.7
[M]- 406.21497 208.7
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

No patent data available for this compound.