CID 5900815

2-[(3z)-3-(3-allyl-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
C22H16BrN3O3S2
SMILES
C=CCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Br)/SC1=S
InChI
InChI=1S/C22H16BrN3O3S2/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/h2-9,11H,1,10,12H2,(H,24,27)/b19-18-
InChIKey
GTAWBCXCRDQNSB-HNENSFHCSA-N
Compound name
N-(3-bromophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-prop-2-enyl-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

512.9816 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.98888 199.3
[M+Na]+ 535.97082 211.9
[M-H]- 511.97432 210.2
[M+NH4]+ 531.01542 213.1
[M+K]+ 551.94476 196.6
[M+H-H2O]+ 495.97886 200.2
[M+HCOO]- 557.97980 207.5
[M+CH3COO]- 571.99545 210.2
[M+Na-2H]- 533.95627 195.8
[M]+ 512.98105 219.8
[M]- 512.98215 219.8
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.