CID 11971098

2-amino-4-nicotinamido-6-(2-fluoro-3-naphthyl)-s-triazine

Structural Information

Molecular Formula
C19H13FN6O
SMILES
C1=CC=C2C=C(C(=CC2=C1)C3=NC(=NC(=N3)NC(=O)C4=CN=CC=C4)N)F
InChI
InChI=1S/C19H13FN6O/c20-15-9-12-5-2-1-4-11(12)8-14(15)16-23-18(21)26-19(24-16)25-17(27)13-6-3-7-22-10-13/h1-10H,(H3,21,23,24,25,26,27)
InChIKey
PJOUSJMHTXCPPD-UHFFFAOYSA-N
Compound name
N-[4-amino-6-(3-fluoronaphthalen-2-yl)-1,3,5-triazin-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

360.1135 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12078 182.3
[M+Na]+ 383.10272 197.8
[M+NH4]+ 378.14732 188.1
[M+K]+ 399.07666 190.3
[M-H]- 359.10622 186.9
[M+Na-2H]- 381.08817 192.4
[M]+ 360.11295 185.7
[M]- 360.11405 185.7
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

patents stripe