CID 3071230

87540-56-5

Structural Information

Molecular Formula
C18H16N4O2
SMILES
CCOC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC
InChI
InChI=1S/C18H16N4O2/c1-3-24-18-15-7-5-4-6-14(15)17-20-19-16(22(17)21-18)12-8-10-13(23-2)11-9-12/h4-11H,3H2,1-2H3
InChIKey
RGNKKUKUSSMHKC-UHFFFAOYSA-N
Compound name
6-ethoxy-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

320.12732 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13460 176.3
[M+Na]+ 343.11654 188.0
[M-H]- 319.12004 180.5
[M+NH4]+ 338.16114 189.0
[M+K]+ 359.09048 181.8
[M+H-H2O]+ 303.12458 165.1
[M+HCOO]- 365.12552 195.6
[M+CH3COO]- 379.14117 187.4
[M+Na-2H]- 341.10199 182.8
[M]+ 320.12677 182.4
[M]- 320.12787 182.4
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