CID 2060626

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

Structural Information

Molecular Formula
C24H17FN4O3S2
SMILES
C1=CC2=NC(=C(C(=O)N2C=C1)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=C(C=C4)F)NCC5=CC=CO5
InChI
InChI=1S/C24H17FN4O3S2/c25-16-8-6-15(7-9-16)14-29-23(31)19(34-24(29)33)12-18-21(26-13-17-4-3-11-32-17)27-20-5-1-2-10-28(20)22(18)30/h1-12,26H,13-14H2/b19-12-
InChIKey
BQQOYBRQBXEMSM-UNOMPAQXSA-N
Compound name
(5Z)-3-[(4-fluorophenyl)methyl]-5-[[2-(furan-2-ylmethylamino)-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

492.0726 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.07988 213.2
[M+Na]+ 515.06182 227.2
[M+NH4]+ 510.10642 218.8
[M+K]+ 531.03576 219.0
[M-H]- 491.06532 219.5
[M+Na-2H]- 513.04727 219.4
[M]+ 492.07205 217.8
[M]- 492.07315 217.8
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.