CID 3000991

Nsc374131

Structural Information

Molecular Formula
C19H14BrN3O3S
SMILES
CN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=O)S3)CNC4=CC=C(C=C4)Br)/C1=O
InChI
InChI=1S/C19H14BrN3O3S/c1-22-14-5-3-2-4-13(14)15(17(22)24)16-18(25)23(19(26)27-16)10-21-12-8-6-11(20)7-9-12/h2-9,21H,10H2,1H3/b16-15-
InChIKey
HHCFKUVWRYBDSG-NXVVXOECSA-N
Compound name
(5Z)-3-[(4-bromoanilino)methyl]-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.99393 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.00121 189.7
[M+Na]+ 465.98315 202.9
[M-H]- 441.98665 201.5
[M+NH4]+ 461.02775 205.9
[M+K]+ 481.95709 189.4
[M+H-H2O]+ 425.99119 189.4
[M+HCOO]- 487.99213 204.0
[M+CH3COO]- 502.00778 202.3
[M+Na-2H]- 463.96860 187.9
[M]+ 442.99338 210.0
[M]- 442.99448 210.0
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.