CID 507782

1-(4-benzoylpiperazin-1-yl)-2-(1h-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C20H18N4O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C=CN=C4
InChI
InChI=1S/C20H18N4O3/c25-18(16-12-22-17-13-21-7-6-15(16)17)20(27)24-10-8-23(9-11-24)19(26)14-4-2-1-3-5-14/h1-7,12-13,22H,8-11H2
InChIKey
WFLDUXYGKGIBTI-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

362.13788 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14516 184.2
[M+Na]+ 385.12710 189.4
[M-H]- 361.13060 187.9
[M+NH4]+ 380.17170 191.9
[M+K]+ 401.10104 183.5
[M+H-H2O]+ 345.13514 172.8
[M+HCOO]- 407.13608 196.6
[M+CH3COO]- 421.15173 191.8
[M+Na-2H]- 383.11255 184.6
[M]+ 362.13733 180.4
[M]- 362.13843 180.4
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

patents stripe