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 199.7
[M+Na]+ 537.98652 212.0
[M-H]- 513.99002 210.6
[M+NH4]+ 533.03112 213.5
[M+K]+ 553.96046 197.2
[M+H-H2O]+ 497.99456 200.5
[M+HCOO]- 559.99550 207.7
[M+CH3COO]- 574.01115 210.6
[M+Na-2H]- 535.97197 196.2
[M]+ 514.99675 220.8
[M]- 514.99785 220.8
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.