CID 15959234

N-[7-[(4-fluorophenyl)methyl]purin-6-yl]pyridine-2-carboxamide

Structural Information

Molecular Formula
C18H13FN6O
SMILES
C1=CC=NC(=C1)C(=O)NC2=NC=NC3=C2N(C=N3)CC4=CC=C(C=C4)F
InChI
InChI=1S/C18H13FN6O/c19-13-6-4-12(5-7-13)9-25-11-23-16-15(25)17(22-10-21-16)24-18(26)14-3-1-2-8-20-14/h1-8,10-11H,9H2,(H,21,22,24,26)
InChIKey
ONFTUPJRYFMGTH-UHFFFAOYSA-N
Compound name
N-[7-[(4-fluorophenyl)methyl]purin-6-yl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.1135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12078 179.5
[M+Na]+ 371.10272 189.6
[M-H]- 347.10622 183.3
[M+NH4]+ 366.14732 187.6
[M+K]+ 387.07666 181.8
[M+H-H2O]+ 331.11076 166.2
[M+HCOO]- 393.11170 198.0
[M+CH3COO]- 407.12735 188.9
[M+Na-2H]- 369.08817 185.7
[M]+ 348.11295 180.2
[M]- 348.11405 180.2
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

No patent data available for this compound.