CID 46926973

1243244-14-5

Structural Information

Molecular Formula
C23H20N6O
SMILES
CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4
InChI
InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
InChIKey
XXYGTCZJJLTAGH-UHFFFAOYSA-N
Compound name
2-[5-methyl-6-(2-methylpyridin-4-yl)pyridin-3-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

67
References

1238
Patents

396.16986 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17714 199.9
[M+Na]+ 419.15908 207.6
[M-H]- 395.16258 206.0
[M+NH4]+ 414.20368 202.7
[M+K]+ 435.13302 198.7
[M+H-H2O]+ 379.16712 185.3
[M+HCOO]- 441.16806 216.5
[M+CH3COO]- 455.18371 207.3
[M+Na-2H]- 417.14453 204.9
[M]+ 396.16931 199.5
[M]- 396.17041 199.5
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