CID 6270743

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

Structural Information

Molecular Formula
C25H24BrN3O3S2
SMILES
CCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Br)/SC1=S
InChI
InChI=1S/C25H24BrN3O3S2/c1-2-3-4-7-13-28-24(32)22(34-25(28)33)21-18-11-5-6-12-19(18)29(23(21)31)15-20(30)27-17-10-8-9-16(26)14-17/h5-6,8-12,14H,2-4,7,13,15H2,1H3,(H,27,30)/b22-21-
InChIKey
RKHBTTXOIDPTLI-DQRAZIAOSA-N
Compound name
N-(3-bromophenyl)-2-[(3Z)-3-(3-hexyl-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

557.04425 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.05153 208.5
[M+Na]+ 580.03347 209.0
[M+NH4]+ 575.07807 210.6
[M+K]+ 596.00741 208.0
[M-H]- 556.03697 210.1
[M+Na-2H]- 578.01892 208.4
[M]+ 557.04370 208.4
[M]- 557.04480 208.4
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.