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 195.8
[M+Na]+ 437.10762 203.6
[M-H]- 413.11112 201.4
[M+NH4]+ 432.15222 205.8
[M+K]+ 453.08156 194.8
[M+H-H2O]+ 397.11566 187.7
[M+HCOO]- 459.11660 201.3
[M+CH3COO]- 473.13225 203.3
[M+Na-2H]- 435.09307 191.9
[M]+ 414.11785 194.0
[M]- 414.11895 194.0
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.