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 179.0
[M+Na]+ 341.13729 191.5
[M-H]- 317.14079 183.4
[M+NH4]+ 336.18189 192.3
[M+K]+ 357.11123 184.4
[M+H-H2O]+ 301.14533 168.1
[M+HCOO]- 363.14627 197.8
[M+CH3COO]- 377.16192 190.2
[M+Na-2H]- 339.12274 184.1
[M]+ 318.14752 184.5
[M]- 318.14862 184.5
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.