CID 2398

3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C23H20N4O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN
InChI
InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)
InChIKey
APYXQTXFRIDSGE-UHFFFAOYSA-N
Compound name
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

431
Patents

384.15863 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16591 190.0
[M+Na]+ 407.14785 200.7
[M-H]- 383.15135 197.7
[M+NH4]+ 402.19245 203.5
[M+K]+ 423.12179 192.1
[M+H-H2O]+ 367.15589 182.0
[M+HCOO]- 429.15683 210.2
[M+CH3COO]- 443.17248 200.3
[M+Na-2H]- 405.13330 188.3
[M]+ 384.15808 191.7
[M]- 384.15918 191.7
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