CID 29126

2-(3-indolylethyl)amino-3-amino-pyridine dihydrochloride

Structural Information

Molecular Formula
C15H16N4
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC3=C(C=CC=N3)N
InChI
InChI=1S/C15H16N4/c16-13-5-3-8-17-15(13)18-9-7-11-10-19-14-6-2-1-4-12(11)14/h1-6,8,10,19H,7,9,16H2,(H,17,18)
InChIKey
MRKKNLBDLVGNEA-UHFFFAOYSA-N
Compound name
2-N-[2-(1H-indol-3-yl)ethyl]pyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1375 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.144776 154.6
[M+Na]+ 275.126718 163.0
[M-H]- 251.130224 158.4
[M+NH4]+ 270.171323 170.4
[M+K]+ 291.100658 156.3
[M+H-H2O]+ 235.134760 145.8
[M+HCOO]- 297.135701 178.1
[M+CH3COO]- 311.151351 166.2
[M+Na-2H]- 273.112166 162.1
[M]+ 252.13695142 152.9
[M]- 252.13804858 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.