CID 3073406

148680-50-6

Structural Information

Molecular Formula
C22H24N6O
SMILES
C1CN(CCN1CN2C(=O)C3CC(=NN3C=N2)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C22H24N6O/c29-22-21-15-20(18-7-3-1-4-8-18)24-27(21)16-23-28(22)17-25-11-13-26(14-12-25)19-9-5-2-6-10-19/h1-10,16,21H,11-15,17H2
InChIKey
IBASSEBBTDREBT-UHFFFAOYSA-N
Compound name
2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.20117 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20845 198.0
[M+Na]+ 411.19039 203.3
[M-H]- 387.19389 202.2
[M+NH4]+ 406.23499 202.3
[M+K]+ 427.16433 194.8
[M+H-H2O]+ 371.19843 182.6
[M+HCOO]- 433.19937 207.1
[M+CH3COO]- 447.21502 203.7
[M+Na-2H]- 409.17584 197.3
[M]+ 388.20062 191.6
[M]- 388.20172 191.6
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.