CID 6918513

Emdt

Structural Information

Molecular Formula
C15H22N2O
SMILES
CCC1=C(C2=C(N1)C=CC(=C2)OC)CCN(C)C
InChI
InChI=1S/C15H22N2O/c1-5-14-12(8-9-17(2)3)13-10-11(18-4)6-7-15(13)16-14/h6-7,10,16H,5,8-9H2,1-4H3
InChIKey
ZEYRDXUWJDGTLD-UHFFFAOYSA-N
Compound name
2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

275
Patents

246.17322 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 158.1
[M+Na]+ 269.16244 170.5
[M+NH4]+ 264.20704 166.4
[M+K]+ 285.13638 165.1
[M-H]- 245.16594 160.6
[M+Na-2H]- 267.14789 163.5
[M]+ 246.17267 160.5
[M]- 246.17377 160.5
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