CID 266391

13175-09-2

Structural Information

Molecular Formula
C30H24N2O2
SMILES
C1=CC=C(C=C1)C2C3C(C(N2C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N(C3=O)C6=CC=CC=C6
InChI
InChI=1S/C30H24N2O2/c33-29-25-26(30(34)32(29)24-19-11-4-12-20-24)28(22-15-7-2-8-16-22)31(23-17-9-3-10-18-23)27(25)21-13-5-1-6-14-21/h1-20,25-28H
InChIKey
ZVHRVPRHMLWDIV-UHFFFAOYSA-N
Compound name
1,2,3,5-tetraphenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.18378 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.19106 210.4
[M+Na]+ 467.17300 217.0
[M-H]- 443.17650 224.4
[M+NH4]+ 462.21760 219.8
[M+K]+ 483.14694 208.4
[M+H-H2O]+ 427.18104 198.2
[M+HCOO]- 489.18198 227.6
[M+CH3COO]- 503.19763 218.7
[M+Na-2H]- 465.15845 205.4
[M]+ 444.18323 207.3
[M]- 444.18433 207.3
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

No patent data available for this compound.