CID 3071220

3-(4-biphenylyl)-6-ethoxy-1,2,4-triazolo(3,4-a)phthalazine

Structural Information

Molecular Formula
C23H18N4O
SMILES
CCOC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C23H18N4O/c1-2-28-23-20-11-7-6-10-19(20)22-25-24-21(27(22)26-23)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChIKey
CWNHFDKOGOTMSQ-UHFFFAOYSA-N
Compound name
6-ethoxy-3-(4-phenylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.14807 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15535 190.3
[M+Na]+ 389.13729 201.1
[M-H]- 365.14079 197.1
[M+NH4]+ 384.18189 200.4
[M+K]+ 405.11123 192.4
[M+H-H2O]+ 349.14533 177.4
[M+HCOO]- 411.14627 208.6
[M+CH3COO]- 425.16192 200.1
[M+Na-2H]- 387.12274 196.1
[M]+ 366.14752 193.7
[M]- 366.14862 193.7
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.