CID 135739860

Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis[4-(1,1-dimethylethyl)phenyl]-2,5-dihydro-

Structural Information

Molecular Formula
C26H28N2O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=C(C=C4)C(C)(C)C
InChI
InChI=1S/C26H28N2O2/c1-25(2,3)17-11-7-15(8-12-17)21-19-20(24(30)27-21)22(28-23(19)29)16-9-13-18(14-10-16)26(4,5)6/h7-14,27,30H,1-6H3
InChIKey
LUWZMQBKBJUDAU-UHFFFAOYSA-N
Compound name
1,4-bis(4-tert-butylphenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

400.2151 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22238 203.3
[M+Na]+ 423.20432 212.2
[M-H]- 399.20782 210.6
[M+NH4]+ 418.24892 215.7
[M+K]+ 439.17826 205.3
[M+H-H2O]+ 383.21236 196.1
[M+HCOO]- 445.21330 217.8
[M+CH3COO]- 459.22895 221.7
[M+Na-2H]- 421.18977 201.9
[M]+ 400.21455 205.1
[M]- 400.21565 205.1
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