CID 3065402

(4e)-4-[[2-[[(e)-(4,5-dioxo-1-phenyl-2-sulfanylidenepyrrolidin-3-ylidene)-phenylmethyl]amino]ethylamino]-phenylmethylidene]-1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione

Structural Information

Molecular Formula
C36H26N4O4S2
SMILES
C1=CC=C(C=C1)/C(=C/2\C(=S)N(C(=O)C2=O)C3=CC=CC=C3)/NCCN/C(=C\4/C(=S)N(C(=O)C4=O)C5=CC=CC=C5)/C6=CC=CC=C6
InChI
InChI=1S/C36H26N4O4S2/c41-31-27(35(45)39(33(31)43)25-17-9-3-10-18-25)29(23-13-5-1-6-14-23)37-21-22-38-30(24-15-7-2-8-16-24)28-32(42)34(44)40(36(28)46)26-19-11-4-12-20-26/h1-20,37-38H,21-22H2/b29-27+,30-28+
InChIKey
RSAUKEJIUNCWBM-QAVVBOBSSA-N
Compound name
(4E)-4-[[2-[[(E)-(4,5-dioxo-1-phenyl-2-sulfanylidenepyrrolidin-3-ylidene)-phenylmethyl]amino]ethylamino]-phenylmethylidene]-1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

642.1395 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.14678 245.1
[M+Na]+ 665.12872 256.4
[M+NH4]+ 660.17332 248.9
[M+K]+ 681.10266 248.4
[M-H]- 641.13222 254.1
[M+Na-2H]- 663.11417 254.1
[M]+ 642.13895 249.7
[M]- 642.14005 249.7
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.