CID 442703

Glepidotin c

Structural Information

Molecular Formula
C19H22O3
SMILES
CC(=C)C(CC1=C(C=C(C=C1O)CCC2=CC=CC=C2)O)O
InChI
InChI=1S/C19H22O3/c1-13(2)17(20)12-16-18(21)10-15(11-19(16)22)9-8-14-6-4-3-5-7-14/h3-7,10-11,17,20-22H,1,8-9,12H2,2H3
InChIKey
NOPHUFYTJFIALJ-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-3-methylbut-3-enyl)-5-(2-phenylethyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1569 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16418 171.9
[M+Na]+ 321.14612 177.3
[M-H]- 297.14962 174.4
[M+NH4]+ 316.19072 185.0
[M+K]+ 337.12006 172.0
[M+H-H2O]+ 281.15416 164.8
[M+HCOO]- 343.15510 188.8
[M+CH3COO]- 357.17075 200.2
[M+Na-2H]- 319.13157 171.3
[M]+ 298.15635 170.7
[M]- 298.15745 170.7
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.