CID 156297

74513-77-2

Structural Information

Molecular Formula
C19H25NO6
SMILES
COC1=C(C=C(C=C1)CCNCC(COC2=CC(=C(C=C2)O)O)O)OC
InChI
InChI=1S/C19H25NO6/c1-24-18-6-3-13(9-19(18)25-2)7-8-20-11-14(21)12-26-15-4-5-16(22)17(23)10-15/h3-6,9-10,14,20-23H,7-8,11-12H2,1-2H3
InChIKey
RFNBEBPVKCJZPV-UHFFFAOYSA-N
Compound name
4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

2
Patents

363.16818 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17546 184.5
[M+Na]+ 386.15740 189.1
[M-H]- 362.16090 187.1
[M+NH4]+ 381.20200 194.6
[M+K]+ 402.13134 186.3
[M+H-H2O]+ 346.16544 175.9
[M+HCOO]- 408.16638 203.7
[M+CH3COO]- 422.18203 213.3
[M+Na-2H]- 384.14285 185.2
[M]+ 363.16763 188.6
[M]- 363.16873 188.6
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