CID 73549

Tryptanthrin

Structural Information

Molecular Formula

C₁₅H₈N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2

InChI

InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H

InChIKey

VQQVWGVXDIPORV-UHFFFAOYSA-N

Compound name

indolo[2,1-b]quinazoline-6,12-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 169
References: 1671
Patents: 248.05858 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	249.06586	153.0
[M+Na]+	271.04780	169.9
[M+NH4]+	266.09240	162.6
[M+K]+	287.02174	163.2
[M-H]-	247.05130	156.0
[M+Na-2H]-	269.03325	159.6
[M]+	248.05803	156.4
[M]-	248.05913	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe