CID 15958819

1-(4-benzoylpiperazin-1-yl)-2-[7-[3-(2-hydroxy-3-methyl-butyl)pyrazol-1-yl]-4-methoxy-1h-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C29H32N6O5
SMILES
CC(C)C(CC1=NN(C=C1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC)O
InChI
InChI=1S/C29H32N6O5/c1-18(2)22(36)15-20-9-10-35(32-20)27-25-24(23(40-3)17-31-27)21(16-30-25)26(37)29(39)34-13-11-33(12-14-34)28(38)19-7-5-4-6-8-19/h4-10,16-18,22,30,36H,11-15H2,1-3H3
InChIKey
BQCPZFBPWUZEON-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[7-[3-(2-hydroxy-3-methylbutyl)pyrazol-1-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.2434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.25068 224.5
[M+Na]+ 567.23262 226.8
[M-H]- 543.23612 229.0
[M+NH4]+ 562.27722 223.1
[M+K]+ 583.20656 221.7
[M+H-H2O]+ 527.24066 212.7
[M+HCOO]- 589.24160 230.1
[M+CH3COO]- 603.25725 227.9
[M+Na-2H]- 565.21807 216.4
[M]+ 544.24285 224.2
[M]- 544.24395 224.2
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.