CID 135428133

Proviolacein

Structural Information

Molecular Formula
C20H13N3O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=CC(=NC3=O)C4=CNC5=C4C=C(C=C5)O
InChI
InChI=1S/C20H13N3O2/c24-11-5-6-18-13(7-11)16(10-22-18)19-8-14(20(25)23-19)15-9-21-17-4-2-1-3-12(15)17/h1-10,21-22,24H
InChIKey
AEUPUFUMWGIQGG-UHFFFAOYSA-N
Compound name
5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

327.10077 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10805 173.3
[M+Na]+ 350.08999 185.8
[M-H]- 326.09349 180.7
[M+NH4]+ 345.13459 188.9
[M+K]+ 366.06393 177.6
[M+H-H2O]+ 310.09803 166.1
[M+HCOO]- 372.09897 193.9
[M+CH3COO]- 386.11462 185.2
[M+Na-2H]- 348.07544 174.3
[M]+ 327.10022 175.6
[M]- 327.10132 175.6
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