CID 5495802

1-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-(1h-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C19H17N5O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=N2)C(=O)C(=O)C3=CNC4=C3C=CC=N4
InChI
InChI=1S/C19H17N5O3/c25-16(14-12-22-17-13(14)4-3-7-21-17)19(27)24-10-8-23(9-11-24)18(26)15-5-1-2-6-20-15/h1-7,12H,8-11H2,(H,21,22)
InChIKey
COSNELWQMXRYCC-UHFFFAOYSA-N
Compound name
1-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.13315 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14043 183.9
[M+Na]+ 386.12237 189.5
[M-H]- 362.12587 186.4
[M+NH4]+ 381.16697 190.1
[M+K]+ 402.09631 183.5
[M+H-H2O]+ 346.13041 171.9
[M+HCOO]- 408.13135 195.2
[M+CH3COO]- 422.14700 191.1
[M+Na-2H]- 384.10782 184.8
[M]+ 363.13260 180.3
[M]- 363.13370 180.3
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.