CID 13248274

Alpha-(3,6-dimethoxy-2-(2-(1-pyrrolidinyl)ethoxy)phenyl)-4-hydroxybenzenepropanol

Structural Information

Molecular Formula
C23H31NO5
SMILES
COC1=C(C(=C(C=C1)OC)OCCN2CCCC2)C(CCC3=CC=C(C=C3)O)O
InChI
InChI=1S/C23H31NO5/c1-27-20-11-12-21(28-2)23(29-16-15-24-13-3-4-14-24)22(20)19(26)10-7-17-5-8-18(25)9-6-17/h5-6,8-9,11-12,19,25-26H,3-4,7,10,13-16H2,1-2H3
InChIKey
MNWJCSVBHZHEFZ-UHFFFAOYSA-N
Compound name
4-[3-[3,6-dimethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.2202 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.22748 197.6
[M+Na]+ 424.20942 200.9
[M-H]- 400.21292 202.6
[M+NH4]+ 419.25402 207.1
[M+K]+ 440.18336 197.0
[M+H-H2O]+ 384.21746 188.0
[M+HCOO]- 446.21840 213.7
[M+CH3COO]- 460.23405 218.9
[M+Na-2H]- 422.19487 194.2
[M]+ 401.21965 199.9
[M]- 401.22075 199.9
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.