CID 1389709

3-[(z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-furylmethyl)amino]-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C25H20N4O3S2
SMILES
CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4)NCC5=CC=CO5)C=C1
InChI
InChI=1S/C25H20N4O3S2/c1-16-9-10-21-27-22(26-13-18-8-5-11-32-18)19(23(30)28(21)14-16)12-20-24(31)29(25(33)34-20)15-17-6-3-2-4-7-17/h2-12,14,26H,13,15H2,1H3/b20-12-
InChIKey
JZLBNAFOCPGKDB-NDENLUEZSA-N
Compound name
(5Z)-3-benzyl-5-[[2-(furan-2-ylmethylamino)-7-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

488.0977 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.10498 213.1
[M+Na]+ 511.08692 228.2
[M+NH4]+ 506.13152 219.4
[M+K]+ 527.06086 219.6
[M-H]- 487.09042 221.0
[M+Na-2H]- 509.07237 220.1
[M]+ 488.09715 218.4
[M]- 488.09825 218.4
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.