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]+ 381.155746 192.4
[M+Na]+ 403.137688 204.3
[M-H]- 379.141194 197.1
[M+NH4]+ 398.182293 202.9
[M+K]+ 419.111628 199.3
[M+H-H2O]+ 363.145730 181.1
[M+HCOO]- 425.146671 211.1
[M+CH3COO]- 439.162321 202.9
[M+Na-2H]- 401.123136 196.6
[M]+ 380.14792142 202.6
[M]- 380.14901858 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.