CID 135739860

84632-59-7

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

120
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 201.1
[M+Na]+ 423.20432 214.3
[M+NH4]+ 418.24892 207.4
[M+K]+ 439.17826 211.7
[M-H]- 399.20782 204.4
[M+Na-2H]- 421.18977 207.1
[M]+ 400.21455 204.1
[M]- 400.21565 204.1
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