CID 16429017

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

Structural Information

Molecular Formula
C22H20N4O3S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C/3\C(=O)N(C(=S)S3)C)NCC4=CC=C(C=C4)OC
InChI
InChI=1S/C22H20N4O3S2/c1-13-5-4-10-26-19(13)24-18(23-12-14-6-8-15(29-3)9-7-14)16(20(26)27)11-17-21(28)25(2)22(30)31-17/h4-11,23H,12H2,1-3H3/b17-11+
InChIKey
CJZBBJCOHQASKA-GZTJUZNOSA-N
Compound name
(5E)-5-[[2-[(4-methoxyphenyl)methylamino]-9-methyl-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

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References

0
Patents

452.0977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.10498 206.9
[M+Na]+ 475.08692 220.5
[M+NH4]+ 470.13152 212.9
[M+K]+ 491.06086 210.7
[M-H]- 451.09042 211.5
[M+Na-2H]- 473.07237 211.9
[M]+ 452.09715 211.0
[M]- 452.09825 211.0
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.