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]+ 367.155346 190.3
[M+Na]+ 389.137288 201.1
[M-H]- 365.140794 197.1
[M+NH4]+ 384.181893 200.4
[M+K]+ 405.111228 192.4
[M+H-H2O]+ 349.145330 177.4
[M+HCOO]- 411.146271 208.6
[M+CH3COO]- 425.161921 200.1
[M+Na-2H]- 387.122736 196.1
[M]+ 366.14752142 193.7
[M]- 366.14861858 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.