CID 1536090

361994-10-7

Structural Information

Molecular Formula
C21H24N4O2S2
SMILES
CC1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)C(C)C
InChI
InChI=1S/C21H24N4O2S2/c1-13(2)25-20(27)16(29-21(25)28)12-15-18(23-10-7-14(3)8-11-23)22-17-6-4-5-9-24(17)19(15)26/h4-6,9,12-14H,7-8,10-11H2,1-3H3/b16-12-
InChIKey
CXUZIRAPCCSYHX-VBKFSLOCSA-N
Compound name
(5Z)-5-[[2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.14134 200.3
[M+Na]+ 451.12328 212.4
[M+NH4]+ 446.16788 206.5
[M+K]+ 467.09722 203.4
[M-H]- 427.12678 203.5
[M+Na-2H]- 449.10873 203.3
[M]+ 428.13351 203.7
[M]- 428.13461 203.7
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.