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 188.2
[M+Na]+ 395.12270 204.2
[M+NH4]+ 390.16730 194.1
[M+K]+ 411.09664 196.7
[M-H]- 371.12620 193.9
[M+Na-2H]- 393.10815 198.5
[M]+ 372.13293 192.0
[M]- 372.13403 192.0
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