CID 45592

N-benzyltryptamine hydrochloride

Structural Information

Molecular Formula
C17H18N2
SMILES
C1=CC=C(C=C1)CNCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H18N2/c1-2-6-14(7-3-1)12-18-11-10-15-13-19-17-9-5-4-8-16(15)17/h1-9,13,18-19H,10-12H2
InChIKey
PRRZWJAGZHENJJ-UHFFFAOYSA-N
Compound name
N-benzyl-2-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

58
Patents

250.147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 156.2
[M+Na]+ 273.13622 163.6
[M-H]- 249.13972 161.1
[M+NH4]+ 268.18082 173.7
[M+K]+ 289.11016 157.0
[M+H-H2O]+ 233.14426 148.0
[M+HCOO]- 295.14520 179.9
[M+CH3COO]- 309.16085 168.0
[M+Na-2H]- 271.12167 163.5
[M]+ 250.14645 155.7
[M]- 250.14755 155.7
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