CID 135565865

84632-66-6

Structural Information

Molecular Formula
C20H16N2O2
SMILES
CC1=CC=C(C=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C20H16N2O2/c1-11-3-7-13(8-4-11)17-15-16(20(24)21-17)18(22-19(15)23)14-9-5-12(2)6-10-14/h3-10,21,24H,1-2H3
InChIKey
WBJVMPJVGWZAKW-UHFFFAOYSA-N
Compound name
3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

170
Patents

316.1212 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.128476 174.9
[M+Na]+ 339.110418 185.9
[M-H]- 315.113924 182.4
[M+NH4]+ 334.155023 190.5
[M+K]+ 355.084358 178.6
[M+H-H2O]+ 299.118460 167.1
[M+HCOO]- 361.119401 194.9
[M+CH3COO]- 375.135051 186.6
[M+Na-2H]- 337.095866 174.2
[M]+ 316.12065142 175.9
[M]- 316.12174858 175.9
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