CID 1536118

361994-62-9

Structural Information

Molecular Formula
C26H26N4O2S2
SMILES
CC1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC5=CC=CC=C5
InChI
InChI=1S/C26H26N4O2S2/c1-17-10-13-28(14-11-17)23-20(24(31)29-12-6-7-18(2)22(29)27-23)15-21-25(32)30(26(33)34-21)16-19-8-4-3-5-9-19/h3-9,12,15,17H,10-11,13-14,16H2,1-2H3/b21-15-
InChIKey
MITDRDNQSXFYGC-QNGOZBTKSA-N
Compound name
(5Z)-3-benzyl-5-[[9-methyl-2-(4-methylpiperidin-1-yl)-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

490.14972 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.15700 218.5
[M+Na]+ 513.13894 227.5
[M-H]- 489.14244 226.0
[M+NH4]+ 508.18354 224.2
[M+K]+ 529.11288 217.0
[M+H-H2O]+ 473.14698 208.8
[M+HCOO]- 535.14792 221.2
[M+CH3COO]- 549.16357 224.6
[M+Na-2H]- 511.12439 211.4
[M]+ 490.14917 217.8
[M]- 490.15027 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.