CID 15959229

2-pyridinecarboxamide, n-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]-9h-purin-8-yl]-

Structural Information

Molecular Formula
C20H18FN7O
SMILES
CN(C)C1=NC=NC2=C1N=C(N2CC3=CC=C(C=C3)F)NC(=O)C4=CC=CC=N4
InChI
InChI=1S/C20H18FN7O/c1-27(2)17-16-18(24-12-23-17)28(11-13-6-8-14(21)9-7-13)20(25-16)26-19(29)15-5-3-4-10-22-15/h3-10,12H,11H2,1-2H3,(H,25,26,29)
InChIKey
ZEQGDRONLOZZGG-UHFFFAOYSA-N
Compound name
N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.1557 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.16298 191.9
[M+Na]+ 414.14492 201.2
[M-H]- 390.14842 197.3
[M+NH4]+ 409.18952 198.9
[M+K]+ 430.11886 194.4
[M+H-H2O]+ 374.15296 178.2
[M+HCOO]- 436.15390 211.3
[M+CH3COO]- 450.16955 200.8
[M+Na-2H]- 412.13037 196.7
[M]+ 391.15515 194.3
[M]- 391.15625 194.3
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.