CID 385440

Asterridinone

Structural Information

Molecular Formula
C32H28N2O4
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

compound 2d structure
1
Annotation Hits

0
References

2
Patents

504.2049 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.