CID 71437670

2-(4-allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1-propanol

Structural Information

Molecular Formula
C22H28O6
SMILES
CC(C(C1=CC(=C(C=C1)OC)OC)O)OC2=C(C=C(C=C2OC)CC=C)OC
InChI
InChI=1S/C22H28O6/c1-7-8-15-11-19(26-5)22(20(12-15)27-6)28-14(2)21(23)16-9-10-17(24-3)18(13-16)25-4/h7,9-14,21,23H,1,8H2,2-6H3
InChIKey
IQBXVNSNERBTIG-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

388.1886 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19588 192.4
[M+Na]+ 411.17782 198.5
[M-H]- 387.18132 197.8
[M+NH4]+ 406.22242 203.5
[M+K]+ 427.15176 196.7
[M+H-H2O]+ 371.18586 183.7
[M+HCOO]- 433.18680 211.8
[M+CH3COO]- 447.20245 222.8
[M+Na-2H]- 409.16327 190.1
[M]+ 388.18805 201.1
[M]- 388.18915 201.1
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