CID 90657760

Protodeoxyviolaceinate

Structural Information

Molecular Formula
C21H15N3O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=CC(=C(N3)C(=O)O)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C21H15N3O2/c25-21(26)20-14(15-10-22-17-7-3-1-5-12(15)17)9-19(24-20)16-11-23-18-8-4-2-6-13(16)18/h1-11,22-24H,(H,25,26)
InChIKey
SFLGFRJGKHRRID-UHFFFAOYSA-N
Compound name
3,5-bis(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

341.11642 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12370 176.5
[M+Na]+ 364.10564 186.8
[M-H]- 340.10914 182.3
[M+NH4]+ 359.15024 190.5
[M+K]+ 380.07958 178.4
[M+H-H2O]+ 324.11368 169.4
[M+HCOO]- 386.11462 194.4
[M+CH3COO]- 400.13027 186.9
[M+Na-2H]- 362.09109 176.5
[M]+ 341.11587 176.5
[M]- 341.11697 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.