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 185.1
[M+Na]+ 383.10272 194.1
[M-H]- 359.10622 189.2
[M+NH4]+ 378.14732 191.7
[M+K]+ 399.07666 185.9
[M+H-H2O]+ 343.11076 171.6
[M+HCOO]- 405.11170 202.7
[M+CH3COO]- 419.12735 193.5
[M+Na-2H]- 381.08817 192.1
[M]+ 360.11295 182.2
[M]- 360.11405 182.2
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