CID 212107

N,n-dimethyl-2-(phenylethynyl)-indene-3-ethylamine hydrochloride

Structural Information

Molecular Formula
C21H21N
SMILES
CN(C)CCC1=C(CC2=CC=CC=C21)C#CC3=CC=CC=C3
InChI
InChI=1S/C21H21N/c1-22(2)15-14-21-19(13-12-17-8-4-3-5-9-17)16-18-10-6-7-11-20(18)21/h3-11H,14-16H2,1-2H3
InChIKey
WUSQWOQPASECRZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-(2-phenylethynyl)-3H-inden-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17468 173.6
[M+Na]+ 310.15662 187.4
[M+NH4]+ 305.20122 179.8
[M+K]+ 326.13056 176.0
[M-H]- 286.16012 171.4
[M+Na-2H]- 308.14207 178.6
[M]+ 287.16685 174.3
[M]- 287.16795 174.3
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

No patent data available for this compound.