CID 90658684

Protoviolaceinate

Structural Information

Molecular Formula
C21H15N3O3
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=C(NC(=C3)C4=CNC5=C4C=C(C=C5)O)C(=O)O
InChI
InChI=1S/C21H15N3O3/c25-11-5-6-18-13(7-11)16(10-23-18)19-8-14(20(24-19)21(26)27)15-9-22-17-4-2-1-3-12(15)17/h1-10,22-25H,(H,26,27)
InChIKey
HNIIMOJBRIPGHJ-UHFFFAOYSA-N
Compound name
5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

7
Patents

357.11133 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11861 183.3
[M+Na]+ 380.10055 197.0
[M+NH4]+ 375.14515 189.4
[M+K]+ 396.07449 196.9
[M-H]- 356.10405 185.9
[M+Na-2H]- 378.08600 188.9
[M]+ 357.11078 185.8
[M]- 357.11188 185.8
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