CID 1889009

3-[(e)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(dipropylamino)-9-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C23H30N4O2S2
SMILES
CCCCN1C(=O)/C(=C\C2=C(N=C3C(=CC=CN3C2=O)C)N(CCC)CCC)/SC1=S
InChI
InChI=1S/C23H30N4O2S2/c1-5-8-13-27-22(29)18(31-23(27)30)15-17-20(25(11-6-2)12-7-3)24-19-16(4)10-9-14-26(19)21(17)28/h9-10,14-15H,5-8,11-13H2,1-4H3/b18-15+
InChIKey
MASFFIRKZDXUQH-OBGWFSINSA-N
Compound name
(5E)-3-butyl-5-[[2-(dipropylamino)-9-methyl-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

458.18103 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.18831 209.7
[M+Na]+ 481.17025 218.2
[M-H]- 457.17375 214.1
[M+NH4]+ 476.21485 219.4
[M+K]+ 497.14419 209.9
[M+H-H2O]+ 441.17829 201.5
[M+HCOO]- 503.17923 216.9
[M+CH3COO]- 517.19488 239.0
[M+Na-2H]- 479.15570 203.5
[M]+ 458.18048 216.7
[M]- 458.18158 216.7
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.