CID 1318269

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

Structural Information

Molecular Formula
C19H21N5O2S2
SMILES
CCN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)C
InChI
InChI=1S/C19H21N5O2S2/c1-3-22-8-10-23(11-9-22)16-13(12-14-18(26)21(2)19(27)28-14)17(25)24-7-5-4-6-15(24)20-16/h4-7,12H,3,8-11H2,1-2H3/b14-12-
InChIKey
GOMBAWOUKDCUPN-OWBHPGMISA-N
Compound name
(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.11368 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12096 197.8
[M+Na]+ 438.10290 210.5
[M+NH4]+ 433.14750 203.5
[M+K]+ 454.07684 201.3
[M-H]- 414.10640 200.5
[M+Na-2H]- 436.08835 200.8
[M]+ 415.11313 201.0
[M]- 415.11423 201.0
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.