CID 3079894

126650-71-3

Structural Information

Molecular Formula
C18H16N4O
SMILES
CCOC1=NN2CC(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C18H16N4O/c1-2-23-18-15-11-7-6-10-14(15)17-20-19-16(12-22(17)21-18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKey
BDHRLHVJPLXGGW-UHFFFAOYSA-N
Compound name
7-ethoxy-3-phenyl-4H-[1,2,4]triazino[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.13242 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 173.5
[M+Na]+ 327.12164 191.4
[M+NH4]+ 322.16624 182.0
[M+K]+ 343.09558 181.8
[M-H]- 303.12514 177.9
[M+Na-2H]- 325.10709 182.8
[M]+ 304.13187 177.6
[M]- 304.13297 177.6
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

No patent data available for this compound.