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]+ 217.16992 150.6
[M+Na]+ 239.15186 160.0
[M-H]- 215.15536 154.6
[M+NH4]+ 234.19646 171.4
[M+K]+ 255.12580 156.3
[M+H-H2O]+ 199.15990 144.1
[M+HCOO]- 261.16084 174.4
[M+CH3COO]- 275.17649 195.3
[M+Na-2H]- 237.13731 154.9
[M]+ 216.16209 153.7
[M]- 216.16319 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