CID 391025

Nsc689448

Structural Information

Molecular Formula
C19H13N5
SMILES
C1=CC(=NC(=C1)C#CC2=NC(=CC=C2)N)C#CC3=NC(=CC=C3)N
InChI
InChI=1S/C19H13N5/c20-18-8-2-6-16(23-18)12-10-14-4-1-5-15(22-14)11-13-17-7-3-9-19(21)24-17/h1-9H,(H2,20,23)(H2,21,24)
InChIKey
XHFQAENVWRIDMF-UHFFFAOYSA-N
Compound name
6-[2-[6-[2-(6-aminopyridin-2-yl)ethynyl]pyridin-2-yl]ethynyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1171 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12438 183.6
[M+Na]+ 334.10632 192.7
[M-H]- 310.10982 182.5
[M+NH4]+ 329.15092 188.1
[M+K]+ 350.08026 183.4
[M+H-H2O]+ 294.11436 164.5
[M+HCOO]- 356.11530 189.8
[M+CH3COO]- 370.13095 186.8
[M+Na-2H]- 332.09177 182.7
[M]+ 311.11655 170.7
[M]- 311.11765 170.7
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.