CID 3070041

3-pyridinecarboxamide, n-(4-(dimethylamino)-6-(4-fluorophenyl)-1,3,5-triazin-2-yl)-

Structural Information

Molecular Formula
C17H15FN6O
SMILES
CN(C)C1=NC(=NC(=N1)NC(=O)C2=CN=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN6O/c1-24(2)17-21-14(11-5-7-13(18)8-6-11)20-16(23-17)22-15(25)12-4-3-9-19-10-12/h3-10H,1-2H3,(H,20,21,22,23,25)
InChIKey
IHZCSUTVWGUMAF-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)-6-(4-fluorophenyl)-1,3,5-triazin-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.12915 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13643 179.3
[M+Na]+ 361.11837 187.1
[M-H]- 337.12187 184.2
[M+NH4]+ 356.16297 186.8
[M+K]+ 377.09231 181.6
[M+H-H2O]+ 321.12641 165.9
[M+HCOO]- 383.12735 199.2
[M+CH3COO]- 397.14300 188.7
[M+Na-2H]- 359.10382 185.3
[M]+ 338.12860 178.8
[M]- 338.12970 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.