CID 12888722

Batatasin v

Structural Information

Molecular Formula
C17H20O4
SMILES
COC1=CC(=CC(=C1OC)OC)CCC2=CC=CC=C2O
InChI
InChI=1S/C17H20O4/c1-19-15-10-12(11-16(20-2)17(15)21-3)8-9-13-6-4-5-7-14(13)18/h4-7,10-11,18H,8-9H2,1-3H3
InChIKey
CCENYSCLQOJNIC-UHFFFAOYSA-N
Compound name
2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

288.13617 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 165.9
[M+Na]+ 311.12539 174.2
[M-H]- 287.12889 171.9
[M+NH4]+ 306.16999 181.4
[M+K]+ 327.09933 171.3
[M+H-H2O]+ 271.13343 158.2
[M+HCOO]- 333.13437 188.6
[M+CH3COO]- 347.15002 201.3
[M+Na-2H]- 309.11084 169.1
[M]+ 288.13562 171.5
[M]- 288.13672 171.5
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