CID 5280135

Schembl1763301

Structural Information

Molecular Formula
C24H20N4O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C=CN=C4C5=CC=CO5
InChI
InChI=1S/C24H20N4O4/c29-22(18-15-26-20-17(18)8-9-25-21(20)19-7-4-14-32-19)24(31)28-12-10-27(11-13-28)23(30)16-5-2-1-3-6-16/h1-9,14-15,26H,10-13H2
InChIKey
ZCRAWNBGGUNAIG-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-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

46
Patents

428.14847 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.15575 198.2
[M+Na]+ 451.13769 203.2
[M-H]- 427.14119 206.5
[M+NH4]+ 446.18229 203.3
[M+K]+ 467.11163 198.5
[M+H-H2O]+ 411.14573 187.0
[M+HCOO]- 473.14667 210.5
[M+CH3COO]- 487.16232 205.5
[M+Na-2H]- 449.12314 195.1
[M]+ 428.14792 196.5
[M]- 428.14902 196.5
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