CID 5495830

Schembl6431492

Structural Information

Molecular Formula
C23H24N4O3
SMILES
CC(C)C1CN(CCN1C(=O)C(=O)C2=CNC3=C2C=CC=N3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H24N4O3/c1-15(2)19-14-26(22(29)16-7-4-3-5-8-16)11-12-27(19)23(30)20(28)18-13-25-21-17(18)9-6-10-24-21/h3-10,13,15,19H,11-12,14H2,1-2H3,(H,24,25)
InChIKey
UKZGTTFHUOUNGH-UHFFFAOYSA-N
Compound name
1-(4-benzoyl-2-propan-2-ylpiperazin-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

18
Patents

404.18484 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19212 196.9
[M+Na]+ 427.17406 201.3
[M-H]- 403.17756 200.6
[M+NH4]+ 422.21866 203.1
[M+K]+ 443.14800 195.4
[M+H-H2O]+ 387.18210 185.5
[M+HCOO]- 449.18304 207.2
[M+CH3COO]- 463.19869 203.4
[M+Na-2H]- 425.15951 194.1
[M]+ 404.18429 194.0
[M]- 404.18539 194.0
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.