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

176
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 207.0
[M+Na]+ 463.14169 215.5
[M-H]- 439.14519 219.9
[M+NH4]+ 458.18629 215.7
[M+K]+ 479.11563 205.7
[M+H-H2O]+ 423.14973 195.9
[M+HCOO]- 485.15067 225.3
[M+CH3COO]- 499.16632 215.8
[M+Na-2H]- 461.12714 204.8
[M]+ 440.15192 205.7
[M]- 440.15302 205.7
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