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
1
Annotation Hits

0
References

169
Patents

316.1212 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12848 174.9
[M+Na]+ 339.11042 185.9
[M-H]- 315.11392 182.4
[M+NH4]+ 334.15502 190.5
[M+K]+ 355.08436 178.6
[M+H-H2O]+ 299.11846 167.1
[M+HCOO]- 361.11940 194.9
[M+CH3COO]- 375.13505 186.6
[M+Na-2H]- 337.09587 174.2
[M]+ 316.12065 175.9
[M]- 316.12175 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