CID 9950486

Am-1714

Structural Information

Molecular Formula
C22H26O4
SMILES
CCCCCCC(C)(C)C1=CC(=C2C(=C1)OC(=O)C3=C2C=C(C=C3)O)O
InChI
InChI=1S/C22H26O4/c1-4-5-6-7-10-22(2,3)14-11-18(24)20-17-13-15(23)8-9-16(17)21(25)26-19(20)12-14/h8-9,11-13,23-24H,4-7,10H2,1-3H3
InChIKey
BWKBVEVEQOCSCF-UHFFFAOYSA-N
Compound name
1,9-dihydroxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

354.1831 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19038 185.5
[M+Na]+ 377.17232 200.6
[M+NH4]+ 372.21692 192.6
[M+K]+ 393.14626 193.2
[M-H]- 353.17582 188.9
[M+Na-2H]- 375.15777 189.9
[M]+ 354.18255 188.9
[M]- 354.18365 188.9
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