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]+ 238.09749 153.1
[M+Na]+ 260.07943 163.0
[M-H]- 236.08293 156.8
[M+NH4]+ 255.12403 167.5
[M+K]+ 276.05337 157.9
[M+H-H2O]+ 220.08747 142.9
[M+HCOO]- 282.08841 173.3
[M+CH3COO]- 296.10406 165.1
[M+Na-2H]- 258.06488 162.9
[M]+ 237.08966 154.4
[M]- 237.09076 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