CID 6448961

155592-98-6

Structural Information

Molecular Formula
C31H22N2O2
SMILES
C1=CC=C(C=C1)/C=C\2/C3=C(C(=O)N(C3C4=CC=CC=C4)C5=CC=CC=C5)N(C2=O)C6=CC=CC=C6
InChI
InChI=1S/C31H22N2O2/c34-30-26(21-22-13-5-1-6-14-22)27-28(23-15-7-2-8-16-23)32(24-17-9-3-10-18-24)31(35)29(27)33(30)25-19-11-4-12-20-25/h1-21,28H/b26-21-
InChIKey
IMSCEODGROFDQQ-QLYXXIJNSA-N
Compound name
(3Z)-3-benzylidene-1,4,5-triphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.16812 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.17540 213.9
[M+Na]+ 477.15734 221.5
[M-H]- 453.16084 228.2
[M+NH4]+ 472.20194 223.0
[M+K]+ 493.13128 211.9
[M+H-H2O]+ 437.16538 201.6
[M+HCOO]- 499.16632 232.3
[M+CH3COO]- 513.18197 222.3
[M+Na-2H]- 475.14279 209.4
[M]+ 454.16757 211.8
[M]- 454.16867 211.8
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.