CID 480774

Glabrene

Structural Information

Molecular Formula
C20H18O4
SMILES
CC1(C=CC2=C(C=CC(=C2O1)C3=CC4=C(C=C(C=C4)O)OC3)O)C
InChI
InChI=1S/C20H18O4/c1-20(2)8-7-16-17(22)6-5-15(19(16)24-20)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-10,21-22H,11H2,1-2H3
InChIKey
NGGYSPUAKQMTNP-UHFFFAOYSA-N
Compound name
8-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethylchromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

833
Patents

322.1205 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 174.4
[M+Na]+ 345.10972 191.1
[M+NH4]+ 340.15432 184.8
[M+K]+ 361.08366 181.6
[M-H]- 321.11322 182.4
[M+Na-2H]- 343.09517 182.0
[M]+ 322.11995 179.6
[M]- 322.12105 179.6
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