CID 5279809

1-(4-fluoro-7-pyrazin-2-yl-1h-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-(1-isoquinolyl)piperazin-1-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C26H20FN7O2
SMILES
C1CN(CCN1C2=NC=CC3=CC=CC=C32)C(=O)C(=O)C4=CNC5=C4C(=CN=C5C6=NC=CN=C6)F
InChI
InChI=1S/C26H20FN7O2/c27-19-14-32-22(20-15-28-7-8-29-20)23-21(19)18(13-31-23)24(35)26(36)34-11-9-33(10-12-34)25-17-4-2-1-3-16(17)5-6-30-25/h1-8,13-15,31H,9-12H2
InChIKey
NZICVLDTLARBJG-UHFFFAOYSA-N
Compound name
1-(4-fluoro-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(4-isoquinolin-1-ylpiperazin-1-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.16626 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.17354 215.1
[M+Na]+ 504.15548 222.3
[M-H]- 480.15898 218.0
[M+NH4]+ 499.20008 214.4
[M+K]+ 520.12942 211.6
[M+H-H2O]+ 464.16352 199.0
[M+HCOO]- 526.16446 220.9
[M+CH3COO]- 540.18011 219.1
[M+Na-2H]- 502.14093 215.2
[M]+ 481.16571 210.7
[M]- 481.16681 210.7
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.