CID 6481402

1-(4-benzoyl-2-methyl-piperazin-1-yl)-2-(4-methoxy-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C23H25N5O4
SMILES
CC1CN(CCN1C(=O)C(=O)C2=CN=C3C(=C2OC)C(=NN3C)C)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H25N5O4/c1-14-13-27(22(30)16-8-6-5-7-9-16)10-11-28(14)23(31)19(29)17-12-24-21-18(20(17)32-4)15(2)25-26(21)3/h5-9,12,14H,10-11,13H2,1-4H3
InChIKey
LFTGZDHBSNGFLX-UHFFFAOYSA-N
Compound name
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.19064 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.19792 206.0
[M+Na]+ 458.17986 213.5
[M-H]- 434.18336 210.7
[M+NH4]+ 453.22446 211.0
[M+K]+ 474.15380 208.2
[M+H-H2O]+ 418.18790 194.0
[M+HCOO]- 480.18884 217.4
[M+CH3COO]- 494.20449 231.4
[M+Na-2H]- 456.16531 202.4
[M]+ 435.19009 208.4
[M]- 435.19119 208.4
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.