CID 3088668

1-benzyl-3-ethylaminomethylindole hydrochloride

Structural Information

Molecular Formula
C18H20N2
SMILES
CCNCC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C18H20N2/c1-2-19-12-16-14-20(13-15-8-4-3-5-9-15)18-11-7-6-10-17(16)18/h3-11,14,19H,2,12-13H2,1H3
InChIKey
DQDVXWDPBUNBQZ-UHFFFAOYSA-N
Compound name
N-[(1-benzylindol-3-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

264.16266 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.169936 161.6
[M+Na]+ 287.151878 170.0
[M-H]- 263.155384 168.1
[M+NH4]+ 282.196483 179.6
[M+K]+ 303.125818 164.0
[M+H-H2O]+ 247.159920 153.1
[M+HCOO]- 309.160861 186.5
[M+CH3COO]- 323.176511 174.0
[M+Na-2H]- 285.137326 168.0
[M]+ 264.16211142 163.7
[M]- 264.16320858 163.7
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

patents stripe