CID 2396

Bisindolylmaleimide i

Structural Information

Molecular Formula
C25H24N4O2
SMILES
CN(C)CCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
InChIKey
QMGUOJYZJKLOLH-UHFFFAOYSA-N
Compound name
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2157
References

2482
Patents

412.1899 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.19718 200.1
[M+Na]+ 435.17912 213.8
[M+NH4]+ 430.22372 206.6
[M+K]+ 451.15306 211.8
[M-H]- 411.18262 204.7
[M+Na-2H]- 433.16457 206.0
[M]+ 412.18935 203.3
[M]- 412.19045 203.3
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