CID 5937915

489444-85-1

Structural Information

Molecular Formula
C26H27N5O2S2
SMILES
CCN1CCN(CC1)C2=C(C(=O)N3C=C(C=CC3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC5=CC=CC=C5
InChI
InChI=1S/C26H27N5O2S2/c1-3-28-11-13-29(14-12-28)23-20(24(32)30-16-18(2)9-10-22(30)27-23)15-21-25(33)31(26(34)35-21)17-19-7-5-4-6-8-19/h4-10,15-16H,3,11-14,17H2,1-2H3/b21-15-
InChIKey
FSZUTJGPBQXVLU-QNGOZBTKSA-N
Compound name
(5Z)-3-benzyl-5-[[2-(4-ethylpiperazin-1-yl)-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

505.1606 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.16788 218.8
[M+Na]+ 528.14982 233.3
[M+NH4]+ 523.19442 224.6
[M+K]+ 544.12376 222.6
[M-H]- 504.15332 224.2
[M+Na-2H]- 526.13527 224.3
[M]+ 505.16005 223.3
[M]- 505.16115 223.3
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.