CID 24041583

Compound np-003588

Structural Information

Molecular Formula
C20H26O4
SMILES
CC1=C(C=C(C(=C1C2=C(C(=CC(=C2C)O)C(C)C)O)O)C(C)C)O
InChI
InChI=1S/C20H26O4/c1-9(2)13-7-15(21)11(5)17(19(13)23)18-12(6)16(22)8-14(10(3)4)20(18)24/h7-10,21-24H,1-6H3
InChIKey
QYNCIWOOLDANTG-UHFFFAOYSA-N
Compound name
3-(2,5-dihydroxy-6-methyl-3-propan-2-ylphenyl)-2-methyl-5-propan-2-ylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1831 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.190376 178.3
[M+Na]+ 353.172318 186.8
[M-H]- 329.175824 181.2
[M+NH4]+ 348.216923 190.9
[M+K]+ 369.146258 182.6
[M+H-H2O]+ 313.180360 172.3
[M+HCOO]- 375.181301 193.2
[M+CH3COO]- 389.196951 210.8
[M+Na-2H]- 351.157766 173.4
[M]+ 330.18255142 180.0
[M]- 330.18364858 180.0
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.