CID 3053661

Brn 0449337

Structural Information

Molecular Formula
C21H24N2O4
SMILES
COC1=CC2=C(C=C1)NC=C2CCNC(=O)CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H24N2O4/c1-25-16-5-6-18-17(12-16)15(13-23-18)8-9-22-21(24)11-14-4-7-19(26-2)20(10-14)27-3/h4-7,10,12-13,23H,8-9,11H2,1-3H3,(H,22,24)
InChIKey
JGTZNDHFTVGVOW-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.180876 187.9
[M+Na]+ 391.162818 195.3
[M-H]- 367.166324 193.4
[M+NH4]+ 386.207423 200.9
[M+K]+ 407.136758 190.7
[M+H-H2O]+ 351.170860 179.0
[M+HCOO]- 413.171801 209.9
[M+CH3COO]- 427.187451 217.7
[M+Na-2H]- 389.148266 189.9
[M]+ 368.17305142 194.1
[M]- 368.17414858 194.1
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.