CID 3071222

87540-46-3

Structural Information

Molecular Formula
C19H18N4O
SMILES
CCOC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC(=C(C=C4)C)C
InChI
InChI=1S/C19H18N4O/c1-4-24-19-16-8-6-5-7-15(16)18-21-20-17(23(18)22-19)14-10-9-12(2)13(3)11-14/h5-11H,4H2,1-3H3
InChIKey
VZVYMRZMEDZPDX-UHFFFAOYSA-N
Compound name
3-(3,4-dimethylphenyl)-6-ethoxy-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.14807 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 177.2
[M+Na]+ 341.13729 195.4
[M+NH4]+ 336.18189 185.3
[M+K]+ 357.11123 188.0
[M-H]- 317.14079 181.3
[M+Na-2H]- 339.12274 185.6
[M]+ 318.14752 181.2
[M]- 318.14862 181.2
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.