CID 55722

Brn 6439699

Structural Information

Molecular Formula
C20H16N6
SMILES
C1CCN(C1)C2=CC=CC3=C2C=NN4C3=NN=C4C5=CC=C(C=C5)C#N
InChI
InChI=1S/C20H16N6/c21-12-14-6-8-15(9-7-14)19-23-24-20-16-4-3-5-18(25-10-1-2-11-25)17(16)13-22-26(19)20/h3-9,13H,1-2,10-11H2
InChIKey
USXONRHOMIBRPS-UHFFFAOYSA-N
Compound name
4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.14365 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15093 178.4
[M+Na]+ 363.13287 190.2
[M-H]- 339.13637 180.3
[M+NH4]+ 358.17747 187.8
[M+K]+ 379.10681 178.8
[M+H-H2O]+ 323.14091 159.1
[M+HCOO]- 385.14185 190.7
[M+CH3COO]- 399.15750 186.0
[M+Na-2H]- 361.11832 179.6
[M]+ 340.14310 172.5
[M]- 340.14420 172.5
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.