CID 157009747

4-[(2r,3s)-2-ethyl-3-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]pentyl]-2-methoxyphenol

Structural Information

Molecular Formula
C22H30O5
SMILES
CC[C@H](CC1=CC(=C(C=C1)O)OC)[C@H](CC)C(C2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C22H30O5/c1-5-15(11-14-7-9-18(23)20(12-14)26-3)17(6-2)22(25)16-8-10-19(24)21(13-16)27-4/h7-10,12-13,15,17,22-25H,5-6,11H2,1-4H3/t15-,17+,22?/m1/s1
InChIKey
BBZFADZHJBEXSO-QQROTITISA-N
Compound name
4-[(2R,3S)-2-ethyl-3-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]pentyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.20932 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.21660 192.0
[M+Na]+ 397.19854 195.9
[M-H]- 373.20204 194.3
[M+NH4]+ 392.24314 202.0
[M+K]+ 413.17248 192.9
[M+H-H2O]+ 357.20658 184.1
[M+HCOO]- 419.20752 207.0
[M+CH3COO]- 433.22317 216.4
[M+Na-2H]- 395.18399 188.1
[M]+ 374.20877 195.2
[M]- 374.20987 195.2
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

No patent data available for this compound.