CID 1579932

3-{(z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(propylamino)-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C23H22N4O2S2
SMILES
CCCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CCC4=CC=CC=C4
InChI
InChI=1S/C23H22N4O2S2/c1-2-12-24-20-17(21(28)26-13-7-6-10-19(26)25-20)15-18-22(29)27(23(30)31-18)14-11-16-8-4-3-5-9-16/h3-10,13,15,24H,2,11-12,14H2,1H3/b18-15-
InChIKey
NCCSFIMHJPBIBS-SDXDJHTJSA-N
Compound name
(5Z)-5-[[4-oxo-2-(propylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

450.1184 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.12568 204.8
[M+Na]+ 473.10762 218.1
[M+NH4]+ 468.15222 211.2
[M+K]+ 489.08156 207.3
[M-H]- 449.11112 209.7
[M+Na-2H]- 471.09307 210.6
[M]+ 450.11785 208.9
[M]- 450.11895 208.9
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.