CID 15958854

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

Structural Information

Molecular Formula
C27H26N6O4
SMILES
CN(C1=CC=CC=N1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC
InChI
InChI=1S/C27H26N6O4/c1-31(21-10-6-7-11-28-21)25-23-22(20(37-2)17-30-25)19(16-29-23)24(34)27(36)33-14-12-32(13-15-33)26(35)18-8-4-3-5-9-18/h3-11,16-17,29H,12-15H2,1-2H3
InChIKey
UFYZIPGXKPVGTL-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-[methyl(pyridin-2-yl)amino]-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

498.20154 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.20882 215.2
[M+Na]+ 521.19076 218.6
[M-H]- 497.19426 222.2
[M+NH4]+ 516.23536 215.7
[M+K]+ 537.16470 213.0
[M+H-H2O]+ 481.19880 201.4
[M+HCOO]- 543.19974 226.4
[M+CH3COO]- 557.21539 220.2
[M+Na-2H]- 519.17621 214.0
[M]+ 498.20099 214.2
[M]- 498.20209 214.2
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.