CID 3071197

Brn 6438114

Structural Information

Molecular Formula
C20H20N6
SMILES
CN1CCN(CC1)C2=NN3C(=NN=C3C4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C20H20N6/c1-24-11-13-25(14-12-24)20-17-10-6-5-9-16(17)19-22-21-18(26(19)23-20)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKey
AJGSSVPGLGFSGB-UHFFFAOYSA-N
Compound name
6-(4-methylpiperazin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.17496 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18224 186.7
[M+Na]+ 367.16418 196.0
[M-H]- 343.16768 190.0
[M+NH4]+ 362.20878 194.7
[M+K]+ 383.13812 187.1
[M+H-H2O]+ 327.17222 172.6
[M+HCOO]- 389.17316 198.8
[M+CH3COO]- 403.18881 194.6
[M+Na-2H]- 365.14963 190.5
[M]+ 344.17441 184.6
[M]- 344.17551 184.6
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.