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]+ 265.16994 161.6
[M+Na]+ 287.15188 170.0
[M-H]- 263.15538 168.1
[M+NH4]+ 282.19648 179.6
[M+K]+ 303.12582 164.0
[M+H-H2O]+ 247.15992 153.1
[M+HCOO]- 309.16086 186.5
[M+CH3COO]- 323.17651 174.0
[M+Na-2H]- 285.13733 168.0
[M]+ 264.16211 163.7
[M]- 264.16321 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.