CID 11971097

2-amino-4-nicotinamido-6-(1-methoxy-4-naphthyl)-s-triazine

Structural Information

Molecular Formula
C20H16N6O2
SMILES
COC1=CC=C(C2=CC=CC=C21)C3=NC(=NC(=N3)NC(=O)C4=CN=CC=C4)N
InChI
InChI=1S/C20H16N6O2/c1-28-16-9-8-15(13-6-2-3-7-14(13)16)17-23-19(21)26-20(24-17)25-18(27)12-5-4-10-22-11-12/h2-11H,1H3,(H3,21,23,24,25,26,27)
InChIKey
MZJQCVUBQNLANS-UHFFFAOYSA-N
Compound name
N-[4-amino-6-(4-methoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

372.13348 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14076 189.1
[M+Na]+ 395.12270 197.2
[M-H]- 371.12620 194.4
[M+NH4]+ 390.16730 195.1
[M+K]+ 411.09664 190.2
[M+H-H2O]+ 355.13074 176.2
[M+HCOO]- 417.13168 207.6
[M+CH3COO]- 431.14733 197.5
[M+Na-2H]- 393.10815 196.3
[M]+ 372.13293 188.7
[M]- 372.13403 188.7
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