CID 3003975

Nsc372567

Structural Information

Molecular Formula
C18H19N3O3S
SMILES
CN1C2=CC=CC=C2/C(=C\3/C(=O)N(C(=O)S3)CN4CCCCC4)/C1=O
InChI
InChI=1S/C18H19N3O3S/c1-19-13-8-4-3-7-12(13)14(16(19)22)15-17(23)21(18(24)25-15)11-20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-11H2,1H3/b15-14+
InChIKey
YMDJCHYGJAWQCY-CCEZHUSRSA-N
Compound name
(5E)-5-(1-methyl-2-oxoindol-3-ylidene)-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.11472 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12200 186.7
[M+Na]+ 380.10394 194.8
[M-H]- 356.10744 193.5
[M+NH4]+ 375.14854 200.7
[M+K]+ 396.07788 189.1
[M+H-H2O]+ 340.11198 179.1
[M+HCOO]- 402.11292 196.6
[M+CH3COO]- 416.12857 196.0
[M+Na-2H]- 378.08939 179.6
[M]+ 357.11417 184.7
[M]- 357.11527 184.7
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.