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]+ 321.134596 176.3
[M+Na]+ 343.116538 188.0
[M-H]- 319.120044 180.5
[M+NH4]+ 338.161143 189.0
[M+K]+ 359.090478 181.8
[M+H-H2O]+ 303.124580 165.1
[M+HCOO]- 365.125521 195.6
[M+CH3COO]- 379.141171 187.4
[M+Na-2H]- 341.101986 182.8
[M]+ 320.12677142 182.4
[M]- 320.12786858 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