CID 3347042

618075-23-3

Structural Information

Molecular Formula
C27H20BrN3O3S2
SMILES
CC1=CC=C(C=C1)CN2C(=O)C(=C3C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC(=CC=C5)Br)SC2=S
InChI
InChI=1S/C27H20BrN3O3S2/c1-16-9-11-17(12-10-16)14-31-26(34)24(36-27(31)35)23-20-7-2-3-8-21(20)30(25(23)33)15-22(32)29-19-6-4-5-18(28)13-19/h2-13H,14-15H2,1H3,(H,29,32)
InChIKey
JZRXWLAUFYQIBB-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-2-[3-[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.01294 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.02022 209.3
[M+Na]+ 600.00216 212.4
[M+NH4]+ 595.04676 212.3
[M+K]+ 615.97610 211.0
[M-H]- 576.00566 213.5
[M+Na-2H]- 597.98761 212.3
[M]+ 577.01239 210.5
[M]- 577.01349 210.5
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.