CID 1597190

442552-50-3

Structural Information

Molecular Formula
C21H24N4O2S2
SMILES
CC(C)CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCCCC4)/SC1=S
InChI
InChI=1S/C21H24N4O2S2/c1-14(2)13-25-20(27)16(29-21(25)28)12-15-18(23-9-5-3-6-10-23)22-17-8-4-7-11-24(17)19(15)26/h4,7-8,11-12,14H,3,5-6,9-10,13H2,1-2H3/b16-12-
InChIKey
SQHMKXYAMSNZMV-VBKFSLOCSA-N
Compound name
(5Z)-3-(2-methylpropyl)-5-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.13406 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.14134 199.0
[M+Na]+ 451.12328 210.7
[M+NH4]+ 446.16788 205.1
[M+K]+ 467.09722 201.7
[M-H]- 427.12678 202.1
[M+Na-2H]- 449.10873 202.3
[M]+ 428.13351 202.2
[M]- 428.13461 202.2
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.