CID 3045010

Brn 1596397

Structural Information

Molecular Formula
C25H38O2
SMILES
CCCCCC(C)C(C)C1=CC(=C2C(=C1)OC(C3=C2C(CCC3)C)(C)C)O
InChI
InChI=1S/C25H38O2/c1-7-8-9-11-16(2)18(4)19-14-21(26)24-22(15-19)27-25(5,6)20-13-10-12-17(3)23(20)24/h14-18,26H,7-13H2,1-6H3
InChIKey
XOZQPDXSJUBMOT-UHFFFAOYSA-N
Compound name
6,6,10-trimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

370.28717 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.29445 196.6
[M+Na]+ 393.27639 201.3
[M-H]- 369.27989 199.8
[M+NH4]+ 388.32099 211.6
[M+K]+ 409.25033 197.4
[M+H-H2O]+ 353.28443 189.4
[M+HCOO]- 415.28537 206.5
[M+CH3COO]- 429.30102 224.2
[M+Na-2H]- 391.26184 194.9
[M]+ 370.28662 197.6
[M]- 370.28772 197.6
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