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]+ 280.18083 166.2
[M+Na]+ 302.16277 172.9
[M-H]- 278.16627 172.4
[M+NH4]+ 297.20737 182.8
[M+K]+ 318.13671 167.8
[M+H-H2O]+ 262.17081 157.8
[M+HCOO]- 324.17175 189.5
[M+CH3COO]- 338.18740 177.6
[M+Na-2H]- 300.14822 169.9
[M]+ 279.17300 165.5
[M]- 279.17410 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.