CID 41086

54436-95-2

Structural Information

Molecular Formula
C27H34O2
SMILES
CC1CCC2=C(C1)C3=C(C=C(C=C3OC2(C)C)C(C)CCCC4=CC=CC=C4)O
InChI
InChI=1S/C27H34O2/c1-18-13-14-23-22(15-18)26-24(28)16-21(17-25(26)29-27(23,3)4)19(2)9-8-12-20-10-6-5-7-11-20/h5-7,10-11,16-19,28H,8-9,12-15H2,1-4H3
InChIKey
AEYFHRDJFXMZKJ-UHFFFAOYSA-N
Compound name
6,6,9-trimethyl-3-(5-phenylpentan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

390.2559 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.26318 200.9
[M+Na]+ 413.24512 206.2
[M-H]- 389.24862 207.4
[M+NH4]+ 408.28972 214.3
[M+K]+ 429.21906 201.0
[M+H-H2O]+ 373.25316 191.3
[M+HCOO]- 435.25410 212.4
[M+CH3COO]- 449.26975 208.9
[M+Na-2H]- 411.23057 201.2
[M]+ 390.25535 200.3
[M]- 390.25645 200.3
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

patents stripe