CID 384229

Nsc673645

Structural Information

Molecular Formula
C22H20N4O2
SMILES
CN1C(C(=O)N(C(C1=O)C2=CNC3=CC=CC=C32)C)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C22H20N4O2/c1-25-19(15-11-23-17-9-5-3-7-13(15)17)22(28)26(2)20(21(25)27)16-12-24-18-10-6-4-8-14(16)18/h3-12,19-20,23-24H,1-2H3
InChIKey
MZWQZGHDDHUBPK-UHFFFAOYSA-N
Compound name
3,6-bis(1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.15863 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16591 191.7
[M+Na]+ 395.14785 202.9
[M-H]- 371.15135 197.5
[M+NH4]+ 390.19245 202.9
[M+K]+ 411.12179 193.8
[M+H-H2O]+ 355.15589 181.9
[M+HCOO]- 417.15683 206.4
[M+CH3COO]- 431.17248 201.0
[M+Na-2H]- 393.13330 190.1
[M]+ 372.15808 191.4
[M]- 372.15918 191.4
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

No patent data available for this compound.