CID 24810000

Asp-5854

Structural Information

Molecular Formula
C18H17FN4O
SMILES
CC(C)N1C=C(C=CC1=O)C2=NC=C(N=C2C3=CC=C(C=C3)F)N
InChI
InChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22)
InChIKey
MNUJNGGYFNZUNB-UHFFFAOYSA-N
Compound name
5-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

27
Patents

324.13864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14592 178.3
[M+Na]+ 347.12786 188.3
[M-H]- 323.13136 183.2
[M+NH4]+ 342.17246 187.8
[M+K]+ 363.10180 181.3
[M+H-H2O]+ 307.13590 166.3
[M+HCOO]- 369.13684 197.1
[M+CH3COO]- 383.15249 188.4
[M+Na-2H]- 345.11331 180.7
[M]+ 324.13809 177.0
[M]- 324.13919 177.0
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