CID 135401970

88949-33-1

Structural Information

Molecular Formula
C30H20N2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C(=C(N3)O)C(=NC4=O)C5=CC=C(C=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H20N2O2/c33-29-25-26(28(32-29)24-17-13-22(14-18-24)20-9-5-2-6-10-20)30(34)31-27(25)23-15-11-21(12-16-23)19-7-3-1-4-8-19/h1-18,31,34H
InChIKey
PBEFQMYEANTVGS-UHFFFAOYSA-N
Compound name
3-hydroxy-1,4-bis(4-phenylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

440.15247 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15975 211.3
[M+Na]+ 463.14169 230.1
[M+NH4]+ 458.18629 219.5
[M+K]+ 479.11563 222.9
[M-H]- 439.14519 221.3
[M+Na-2H]- 461.12714 223.4
[M]+ 440.15192 217.2
[M]- 440.15302 217.2
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

patents stripe