CID 43669

3,5-dimethyl-2-(2-dimethylaminoethyl)indole

Structural Information

Molecular Formula
C14H20N2
SMILES
CC1=CC2=C(C=C1)NC(=C2C)CCN(C)C
InChI
InChI=1S/C14H20N2/c1-10-5-6-14-12(9-10)11(2)13(15-14)7-8-16(3)4/h5-6,9,15H,7-8H2,1-4H3
InChIKey
RPOMLSRNDLNLHJ-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1H-indol-2-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

216.16264 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 150.6
[M+Na]+ 239.151858 160.0
[M-H]- 215.155364 154.6
[M+NH4]+ 234.196463 171.4
[M+K]+ 255.125798 156.3
[M+H-H2O]+ 199.159900 144.1
[M+HCOO]- 261.160841 174.4
[M+CH3COO]- 275.176491 195.3
[M+Na-2H]- 237.137306 154.9
[M]+ 216.16209142 153.7
[M]- 216.16318858 153.7
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

patents stripe