CID 1547183

3-[(z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(ethylamino)-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C20H22N4O2S2
SMILES
CCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)C4CCCCC4
InChI
InChI=1S/C20H22N4O2S2/c1-2-21-17-14(18(25)23-11-7-6-10-16(23)22-17)12-15-19(26)24(20(27)28-15)13-8-4-3-5-9-13/h6-7,10-13,21H,2-5,8-9H2,1H3/b15-12-
InChIKey
BFAGVOITVFTVPP-QINSGFPZSA-N
Compound name
(5Z)-3-cyclohexyl-5-[[2-(ethylamino)-4-oxopyrido[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

414.1184 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12568 194.1
[M+Na]+ 437.10762 205.3
[M+NH4]+ 432.15222 200.8
[M+K]+ 453.08156 195.8
[M-H]- 413.11112 198.4
[M+Na-2H]- 435.09307 198.3
[M]+ 414.11785 197.6
[M]- 414.11895 197.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.