CID 385440

Asterridinone

Structural Information

Molecular Formula

SMILES

CC(C)(C=C)N1C=C(C2=CC=CC=C21)C3=C4C(=C(C(=O)O4)C5=CN(C6=CC=CC=C65)C(C)(C)C=C)OC3=O

InChI

InChI=1S/C32H28N2O4/c1-7-31(3,4)33-17-21(19-13-9-11-15-23(19)33)25-27-28(38-29(25)35)26(30(36)37-27)22-18-34(32(5,6)8-2)24-16-12-10-14-20(22)24/h7-18H,1-2H2,3-6H3

InChIKey

IRJGMAFRZLADJC-UHFFFAOYSA-N

Compound name

3,6-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]furo[3,2-b]furan-2,5-dione

Related CIDs

2D Structure

1
Annotation Hits: 0
References: 2
Patents: 504.2049 Da
Monoisotopic Mass: 5.8
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]+	505.21218	227.4
[M+Na]+	527.19412	238.8
[M-H]-	503.19762	242.1
[M+NH4]+	522.23872	239.5
[M+K]+	543.16806	234.6
[M+H-H2O]+	487.20216	224.1
[M+HCOO]-	549.20310	243.8
[M+CH3COO]-	563.21875	237.7
[M+Na-2H]-	525.17957	223.1
[M]+	504.20435	238.0
[M]-	504.20545	238.0

Literature stripe

Patent stripe