CID 3071201

Brn 6445141

Structural Information

Molecular Formula
C25H21N5
SMILES
C1CCN(C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C5=CC=C(C=C5)C6=CC=CC=C6
InChI
InChI=1S/C25H21N5/c1-2-8-18(9-3-1)19-12-14-20(15-13-19)23-26-27-24-21-10-4-5-11-22(21)25(28-30(23)24)29-16-6-7-17-29/h1-5,8-15H,6-7,16-17H2
InChIKey
VZYHYIZIZBMDBU-UHFFFAOYSA-N
Compound name
3-(4-phenylphenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.1797 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18698 194.5
[M+Na]+ 414.16892 203.5
[M-H]- 390.17242 202.9
[M+NH4]+ 409.21352 203.3
[M+K]+ 430.14286 194.0
[M+H-H2O]+ 374.17696 180.8
[M+HCOO]- 436.17790 209.9
[M+CH3COO]- 450.19355 202.9
[M+Na-2H]- 412.15437 195.5
[M]+ 391.17915 193.3
[M]- 391.18025 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.