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 154.6
[M+Na]+ 275.12672 163.0
[M-H]- 251.13022 158.4
[M+NH4]+ 270.17132 170.4
[M+K]+ 291.10066 156.3
[M+H-H2O]+ 235.13476 145.8
[M+HCOO]- 297.13570 178.1
[M+CH3COO]- 311.15135 166.2
[M+Na-2H]- 273.11217 162.1
[M]+ 252.13695 152.9
[M]- 252.13805 152.9
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.