CID 3852812

4-[2-amino-1-(1h-indol-3-yl)ethyl]-n,n-dimethylaniline

Structural Information

Molecular Formula
C18H21N3
SMILES
CN(C)C1=CC=C(C=C1)C(CN)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H21N3/c1-21(2)14-9-7-13(8-10-14)16(11-19)17-12-20-18-6-4-3-5-15(17)18/h3-10,12,16,20H,11,19H2,1-2H3
InChIKey
DUBXLRJWMBQVJY-UHFFFAOYSA-N
Compound name
4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

279.17355 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.180826 166.2
[M+Na]+ 302.162768 172.9
[M-H]- 278.166274 172.4
[M+NH4]+ 297.207373 182.8
[M+K]+ 318.136708 167.8
[M+H-H2O]+ 262.170810 157.8
[M+HCOO]- 324.171751 189.5
[M+CH3COO]- 338.187401 177.6
[M+Na-2H]- 300.148216 169.9
[M]+ 279.17300142 165.5
[M]- 279.17409858 165.5
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

No patent data available for this compound.