CID 5900788

2-[(3z)-3-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(3-bromophenyl)acetamide

Structural Information

Molecular Formula
C26H18BrN3O3S2
SMILES
C1=CC=C(C=C1)CN2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC(=CC=C5)Br)/SC2=S
InChI
InChI=1S/C26H18BrN3O3S2/c27-17-9-6-10-18(13-17)28-21(31)15-29-20-12-5-4-11-19(20)22(24(29)32)23-25(33)30(26(34)35-23)14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,28,31)/b23-22-
InChIKey
RNYSNZWWXCCHSK-FCQUAONHSA-N
Compound name
2-[(3Z)-3-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(3-bromophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.9973 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.00458 211.9
[M+Na]+ 585.98652 223.6
[M-H]- 561.99002 225.5
[M+NH4]+ 581.03112 223.3
[M+K]+ 601.96046 208.9
[M+H-H2O]+ 545.99456 212.3
[M+HCOO]- 607.99550 220.2
[M+CH3COO]- 622.01115 222.0
[M+Na-2H]- 583.97197 208.6
[M]+ 562.99675 231.9
[M]- 562.99785 231.9
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.