CID 2403

Bisindolylmaleimide viii

Structural Information

Molecular Formula
C24H22N4O2
SMILES
CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN
InChI
InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)
InChIKey
UQHKJRCFSLMWIA-UHFFFAOYSA-N
Compound name
3-[1-(3-aminopropyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

81
References

527
Patents

398.1743 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 197.0
[M+Na]+ 421.16352 211.4
[M+NH4]+ 416.20812 203.7
[M+K]+ 437.13746 209.2
[M-H]- 397.16702 201.8
[M+Na-2H]- 419.14897 202.8
[M]+ 398.17375 200.4
[M]- 398.17485 200.4
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

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