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 216.7
[M+Na]+ 513.13894 224.5
[M-H]- 489.14244 224.0
[M+NH4]+ 508.18354 222.1
[M+K]+ 529.11288 214.8
[M+H-H2O]+ 473.14698 207.2
[M+HCOO]- 535.14792 218.5
[M+CH3COO]- 549.16357 222.5
[M+Na-2H]- 511.12439 209.8
[M]+ 490.14917 215.2
[M]- 490.15027 215.2
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.