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-methyl-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

67
References

1466
Patents

396.16986 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.177136 199.9
[M+Na]+ 419.159078 207.6
[M-H]- 395.162584 206.0
[M+NH4]+ 414.203683 202.7
[M+K]+ 435.133018 198.7
[M+H-H2O]+ 379.167120 185.3
[M+HCOO]- 441.168061 216.5
[M+CH3COO]- 455.183711 207.3
[M+Na-2H]- 417.144526 204.9
[M]+ 396.16931142 199.5
[M]- 396.17040858 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