CID 53500

76410-35-0

Structural Information

Molecular Formula
C26H34N2O6
SMILES
CCOC(=O)C1=C(C2=C(N1C)C=CC=C2OCC(CNCCC3=CC(=C(C=C3)OC)OC)O)C
InChI
InChI=1S/C26H34N2O6/c1-6-33-26(30)25-17(2)24-20(28(25)3)8-7-9-22(24)34-16-19(29)15-27-13-12-18-10-11-21(31-4)23(14-18)32-5/h7-11,14,19,27,29H,6,12-13,15-16H2,1-5H3
InChIKey
WGQSNLLPKZGNJU-UHFFFAOYSA-N
Compound name
ethyl 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1,3-dimethylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.2417 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.24898 216.0
[M+Na]+ 493.23092 221.8
[M-H]- 469.23442 221.3
[M+NH4]+ 488.27552 224.9
[M+K]+ 509.20486 218.8
[M+H-H2O]+ 453.23896 206.4
[M+HCOO]- 515.23990 235.4
[M+CH3COO]- 529.25555 240.1
[M+Na-2H]- 491.21637 213.3
[M]+ 470.24115 226.8
[M]- 470.24225 226.8
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.