CID 5925071

361994-27-6

Structural Information

Molecular Formula
C26H26N4O2S2
SMILES
CC1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)C(C)C5=CC=CC=C5
InChI
InChI=1S/C26H26N4O2S2/c1-17-11-14-28(15-12-17)23-20(24(31)29-13-7-6-10-22(29)27-23)16-21-25(32)30(26(33)34-21)18(2)19-8-4-3-5-9-19/h3-10,13,16-18H,11-12,14-15H2,1-2H3/b21-16-
InChIKey
HIJFHRJUMZJJQF-PGMHBOJBSA-N
Compound name
(5Z)-5-[[2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.14972 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.15700 212.1
[M+Na]+ 513.13894 226.2
[M+NH4]+ 508.18354 218.6
[M+K]+ 529.11288 215.9
[M-H]- 489.14244 218.0
[M+Na-2H]- 511.12439 218.3
[M]+ 490.14917 216.7
[M]- 490.15027 216.7
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.