CID 5280266

Chembl4455463

Structural Information

Molecular Formula
C22H20N4O3
SMILES
C[C@H]1CN(CCN1C(=O)C(=O)C2=NC3=CC=CC=C3N=C2)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H20N4O3/c1-15-14-25(21(28)16-7-3-2-4-8-16)11-12-26(15)22(29)20(27)19-13-23-17-9-5-6-10-18(17)24-19/h2-10,13,15H,11-12,14H2,1H3/t15-/m0/s1
InChIKey
JKHFNOANZOYIKE-HNNXBMFYSA-N
Compound name
1-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-2-ylethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.15353 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16081 193.6
[M+Na]+ 411.14275 198.3
[M-H]- 387.14625 197.6
[M+NH4]+ 406.18735 198.8
[M+K]+ 427.11669 192.4
[M+H-H2O]+ 371.15079 180.5
[M+HCOO]- 433.15173 204.2
[M+CH3COO]- 447.16738 200.2
[M+Na-2H]- 409.12820 194.7
[M]+ 388.15298 190.1
[M]- 388.15408 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.