CID 408403

374064-07-0

Structural Information

Molecular Formula
C15H15N3
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CN=CC=C3)CCN
InChI
InChI=1S/C15H15N3/c16-8-7-13-12-5-1-2-6-14(12)18-15(13)11-4-3-9-17-10-11/h1-6,9-10,18H,7-8,16H2
InChIKey
SZLBNNSKJUHQMT-UHFFFAOYSA-N
Compound name
2-(2-pyridin-3-yl-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

237.1266 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 152.6
[M+Na]+ 260.11582 161.9
[M-H]- 236.11932 156.4
[M+NH4]+ 255.16042 169.4
[M+K]+ 276.08976 155.2
[M+H-H2O]+ 220.12386 144.2
[M+HCOO]- 282.12480 175.1
[M+CH3COO]- 296.14045 164.7
[M+Na-2H]- 258.10127 159.3
[M]+ 237.12605 151.5
[M]- 237.12715 151.5
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