CID 5943138

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

Structural Information

Molecular Formula
C20H14BrN3O3S2
SMILES
CN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Br)/SC1=S
InChI
InChI=1S/C20H14BrN3O3S2/c1-23-19(27)17(29-20(23)28)16-13-7-2-3-8-14(13)24(18(16)26)10-15(25)22-12-6-4-5-11(21)9-12/h2-9H,10H2,1H3,(H,22,25)/b17-16-
InChIKey
DBQDBYNFVNIQST-MSUUIHNZSA-N
Compound name
N-(3-bromophenyl)-2-[(3Z)-3-(3-methyl-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

486.966 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.97328 188.3
[M+Na]+ 509.95522 189.9
[M+NH4]+ 504.99982 191.3
[M+K]+ 525.92916 189.9
[M-H]- 485.95872 190.2
[M+Na-2H]- 507.94067 189.4
[M]+ 486.96545 188.4
[M]- 486.96655 188.4
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.