CID 10436031

1-[3-ethyl-4-(pyridine-2-carbonyl)piperazin-1-yl]-2-(4-methoxy-7-pyrazin-2-yl-1h-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C26H25N7O4
SMILES
CCC1CN(CCN1C(=O)C2=CC=CC=N2)C(=O)C(=O)C3=CNC4=C3C(=CN=C4C5=NC=CN=C5)OC
InChI
InChI=1S/C26H25N7O4/c1-3-16-15-32(10-11-33(16)25(35)18-6-4-5-7-28-18)26(36)24(34)17-12-30-23-21(17)20(37-2)14-31-22(23)19-13-27-8-9-29-19/h4-9,12-14,16,30H,3,10-11,15H2,1-2H3
InChIKey
PKVBQDXZRAOUSQ-UHFFFAOYSA-N
Compound name
1-[3-ethyl-4-(pyridine-2-carbonyl)piperazin-1-yl]-2-(4-methoxy-7-pyrazin-2-yl-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

499.1968 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.20408 218.8
[M+Na]+ 522.18602 224.3
[M-H]- 498.18952 222.4
[M+NH4]+ 517.23062 216.6
[M+K]+ 538.15996 216.5
[M+H-H2O]+ 482.19406 204.4
[M+HCOO]- 544.19500 225.8
[M+CH3COO]- 558.21065 222.8
[M+Na-2H]- 520.17147 216.6
[M]+ 499.19625 217.9
[M]- 499.19735 217.9
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.