CID 5901101

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

Structural Information

Molecular Formula
C18H20N4O2S2
SMILES
CCC(C)N1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCC)/SC1=S
InChI
InChI=1S/C18H20N4O2S2/c1-4-11(3)22-17(24)13(26-18(22)25)10-12-15(19-5-2)20-14-8-6-7-9-21(14)16(12)23/h6-11,19H,4-5H2,1-3H3/b13-10-
InChIKey
YOLVEDKLJAVXRP-RAXLEYEMSA-N
Compound name
(5Z)-3-butan-2-yl-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

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References

0
Patents

388.10278 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11006 191.3
[M+Na]+ 411.09200 202.2
[M+NH4]+ 406.13660 197.2
[M+K]+ 427.06594 193.6
[M-H]- 387.09550 193.2
[M+Na-2H]- 409.07745 193.7
[M]+ 388.10223 194.0
[M]- 388.10333 194.0
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.

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No patent data available for this compound.