CID 44177328

Akn-028

Structural Information

Molecular Formula
C17H14N6
SMILES
C1=CC2=C(C=CN2)C=C1NC3=NC(=CN=C3N)C4=CC=NC=C4
InChI
InChI=1S/C17H14N6/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11/h1-10,20H,(H2,18,21)(H,22,23)
InChIKey
JLRIJKVMMZEKDF-UHFFFAOYSA-N
Compound name
3-N-(1H-indol-5-yl)-5-pyridin-4-ylpyrazine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

445
Patents

302.128 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13528 166.9
[M+Na]+ 325.11722 176.6
[M-H]- 301.12072 171.8
[M+NH4]+ 320.16182 177.6
[M+K]+ 341.09116 168.2
[M+H-H2O]+ 285.12526 155.9
[M+HCOO]- 347.12620 188.1
[M+CH3COO]- 361.14185 177.3
[M+Na-2H]- 323.10267 175.2
[M]+ 302.12745 164.8
[M]- 302.12855 164.8
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