CID 2400

Bisindolylmaleimide v

Structural Information

Molecular Formula
C21H15N3O2
SMILES
CN1C(=O)C(=C(C1=O)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
InChIKey
SWAWYMIKGOHZMR-UHFFFAOYSA-N
Compound name
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

180
Patents

341.11642 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.123696 179.7
[M+Na]+ 364.105638 192.3
[M-H]- 340.109144 188.1
[M+NH4]+ 359.150243 195.5
[M+K]+ 380.079578 184.1
[M+H-H2O]+ 324.113680 172.2
[M+HCOO]- 386.114621 200.1
[M+CH3COO]- 400.130271 191.5
[M+Na-2H]- 362.091086 178.6
[M]+ 341.11587142 182.2
[M]- 341.11696858 182.2
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

patents stripe