CID 3053029

As-triazine, 3-methoxy-5-(2-naphthyl)-

Structural Information

Molecular Formula
C14H11N3O
SMILES
COC1=NC(=CN=N1)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C14H11N3O/c1-18-14-16-13(9-15-17-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3
InChIKey
YNKGJKPHJOELGE-UHFFFAOYSA-N
Compound name
3-methoxy-5-naphthalen-2-yl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.09021 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.097486 153.1
[M+Na]+ 260.079428 163.0
[M-H]- 236.082934 156.8
[M+NH4]+ 255.124033 167.5
[M+K]+ 276.053368 157.9
[M+H-H2O]+ 220.087470 142.9
[M+HCOO]- 282.088411 173.3
[M+CH3COO]- 296.104061 165.1
[M+Na-2H]- 258.064876 162.9
[M]+ 237.08966142 154.4
[M]- 237.09075858 154.4
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