CID 29122

4-(3-indolylethyl)amino-3-amino-pyridine dihydrochloride

Structural Information

Molecular Formula
C15H16N4
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC3=C(C=NC=C3)N
InChI
InChI=1S/C15H16N4/c16-13-10-17-7-6-15(13)18-8-5-11-9-19-14-4-2-1-3-12(11)14/h1-4,6-7,9-10,19H,5,8,16H2,(H,17,18)
InChIKey
ODXUMELSLLOXJI-UHFFFAOYSA-N
Compound name
4-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1375 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14478 157.2
[M+Na]+ 275.12672 170.7
[M+NH4]+ 270.17132 165.5
[M+K]+ 291.10066 164.6
[M-H]- 251.13022 161.9
[M+Na-2H]- 273.11217 166.0
[M]+ 252.13695 160.3
[M]- 252.13805 160.3
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.