CID 3003973

Nsc372565

Structural Information

Molecular Formula
C15H14BrN3O3S
SMILES
CN1C2=C(C=C(C=C2)Br)/C(=C\3/C(=O)N(C(=O)S3)CN(C)C)/C1=O
InChI
InChI=1S/C15H14BrN3O3S/c1-17(2)7-19-14(21)12(23-15(19)22)11-9-6-8(16)4-5-10(9)18(3)13(11)20/h4-6H,7H2,1-3H3/b12-11+
InChIKey
OOLAXBYILCIJBH-VAWYXSNFSA-N
Compound name
(5E)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-3-[(dimethylamino)methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.99393 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.00121 176.5
[M+Na]+ 417.98315 190.4
[M-H]- 393.98665 186.7
[M+NH4]+ 413.02775 195.5
[M+K]+ 433.95709 178.5
[M+H-H2O]+ 377.99119 176.8
[M+HCOO]- 439.99213 190.9
[M+CH3COO]- 454.00778 219.5
[M+Na-2H]- 415.96860 174.1
[M]+ 394.99338 198.8
[M]- 394.99448 198.8
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.