CID 6448960

155592-97-5

Structural Information

Molecular Formula
C31H20Br2N2O2
SMILES
C1=CC=C(C=C1)N2C(C\3=C(C2=O)N(C(=O)/C3=C\C4=CC=C(C=C4)Br)C5=CC=CC=C5)C6=CC=C(C=C6)Br
InChI
InChI=1S/C31H20Br2N2O2/c32-22-15-11-20(12-16-22)19-26-27-28(21-13-17-23(33)18-14-21)34(24-7-3-1-4-8-24)31(37)29(27)35(30(26)36)25-9-5-2-6-10-25/h1-19,28H/b26-19-
InChIKey
LSSHBSIVXGMWMI-XHPQRKPJSA-N
Compound name
(3Z)-4-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

609.98914 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.99642 224.7
[M+Na]+ 632.97836 233.3
[M-H]- 608.98186 239.5
[M+NH4]+ 628.02296 234.4
[M+K]+ 648.95230 218.9
[M+H-H2O]+ 592.98640 230.8
[M+HCOO]- 654.98734 236.5
[M+CH3COO]- 669.00299 233.6
[M+Na-2H]- 630.96381 220.5
[M]+ 609.98859 256.8
[M]- 609.98969 256.8
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.