CID 9865801

Jth-601

Structural Information

Molecular Formula
C24H35NO4
SMILES
CC1=CC(=C(C=C1O)C(C)C)OCCN(C)CC2=C(C(=C(C(=C2C)O)C)C)OC
InChI
InChI=1S/C24H35NO4/c1-14(2)19-12-21(26)15(3)11-22(19)29-10-9-25(7)13-20-18(6)23(27)16(4)17(5)24(20)28-8/h11-12,14,26-27H,9-10,13H2,1-8H3
InChIKey
VXLRYJNESHCVDX-UHFFFAOYSA-N
Compound name
3-[[2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-methylamino]methyl]-4-methoxy-2,5,6-trimethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

31
Patents

401.25662 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.26390 202.7
[M+Na]+ 424.24584 215.1
[M+NH4]+ 419.29044 208.2
[M+K]+ 440.21978 209.0
[M-H]- 400.24934 206.2
[M+Na-2H]- 422.23129 206.5
[M]+ 401.25607 205.5
[M]- 401.25717 205.5
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