CID 6035715

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

Structural Information

Molecular Formula
C28H25N5O3S2
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)/C=C\5/C(=O)N(C(=S)S5)CC6=CC=CO6
InChI
InChI=1S/C28H25N5O3S2/c34-26-22(17-23-27(35)33(28(37)38-23)19-21-9-6-16-36-21)25(29-24-10-4-5-11-32(24)26)31-14-12-30(13-15-31)18-20-7-2-1-3-8-20/h1-11,16-17H,12-15,18-19H2/b23-17-
InChIKey
GZXWXWWGMQJOSN-QJOMJCCJSA-N
Compound name
(5Z)-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.1399 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.14718 227.6
[M+Na]+ 566.12912 237.8
[M-H]- 542.13262 238.8
[M+NH4]+ 561.17372 230.3
[M+K]+ 582.10306 229.0
[M+H-H2O]+ 526.13716 218.7
[M+HCOO]- 588.13810 232.3
[M+CH3COO]- 602.15375 233.9
[M+Na-2H]- 564.11457 220.0
[M]+ 543.13935 229.3
[M]- 543.14045 229.3
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.