CID 5935597

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

Structural Information

Molecular Formula
C22H18BrN3O3S2
SMILES
CCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Br)/SC1=S
InChI
InChI=1S/C22H18BrN3O3S2/c1-2-10-25-21(29)19(31-22(25)30)18-15-8-3-4-9-16(15)26(20(18)28)12-17(27)24-14-7-5-6-13(23)11-14/h3-9,11H,2,10,12H2,1H3,(H,24,27)/b19-18-
InChIKey
OQPZPDXCBJVNHW-HNENSFHCSA-N
Compound name
N-(3-bromophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.9973 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.00458 196.4
[M+Na]+ 537.98652 197.6
[M+NH4]+ 533.03112 199.1
[M+K]+ 553.96046 197.2
[M-H]- 513.99002 198.2
[M+Na-2H]- 535.97197 197.0
[M]+ 514.99675 196.4
[M]- 514.99785 196.4
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.