CID 3071226

87540-51-0

Structural Information

Molecular Formula
C20H20N4O4
SMILES
CCOC1=NN2C(=NN=C2C3=CC(=C(C=C3OC)OC)OC)C4=CC=CC=C41
InChI
InChI=1S/C20H20N4O4/c1-5-28-20-13-9-7-6-8-12(13)18-21-22-19(24(18)23-20)14-10-16(26-3)17(27-4)11-15(14)25-2/h6-11H,5H2,1-4H3
InChIKey
NZCMLYVMGXLFPX-UHFFFAOYSA-N
Compound name
6-ethoxy-3-(2,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.14847 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15575 192.4
[M+Na]+ 403.13769 204.3
[M-H]- 379.14119 197.1
[M+NH4]+ 398.18229 202.9
[M+K]+ 419.11163 199.3
[M+H-H2O]+ 363.14573 181.1
[M+HCOO]- 425.14667 211.1
[M+CH3COO]- 439.16232 202.9
[M+Na-2H]- 401.12314 196.6
[M]+ 380.14792 202.6
[M]- 380.14902 202.6
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.