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
4
Annotation Hits

2157
References

2015
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 199.5
[M+Na]+ 435.17912 209.1
[M-H]- 411.18262 208.6
[M+NH4]+ 430.22372 212.6
[M+K]+ 451.15306 201.7
[M+H-H2O]+ 395.18716 190.8
[M+HCOO]- 457.18810 219.9
[M+CH3COO]- 471.20375 209.5
[M+Na-2H]- 433.16457 196.8
[M]+ 412.18935 203.7
[M]- 412.19045 203.7
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