CID 5766157

374097-55-9

Structural Information

Molecular Formula
C23H26N4O3S2
SMILES
CC1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CC5CCCO5
InChI
InChI=1S/C23H26N4O3S2/c1-15-7-10-25(11-8-15)20-17(21(28)26-9-3-2-6-19(26)24-20)13-18-22(29)27(23(31)32-18)14-16-5-4-12-30-16/h2-3,6,9,13,15-16H,4-5,7-8,10-12,14H2,1H3/b18-13-
InChIKey
ANMXAIKGHWJNJF-AQTBWJFISA-N
Compound name
(5Z)-5-[[2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.14462 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.15190 211.9
[M+Na]+ 493.13384 220.0
[M-H]- 469.13734 220.5
[M+NH4]+ 488.17844 219.2
[M+K]+ 509.10778 213.2
[M+H-H2O]+ 453.14188 204.8
[M+HCOO]- 515.14282 213.9
[M+CH3COO]- 529.15847 218.7
[M+Na-2H]- 491.11929 202.4
[M]+ 470.14407 210.7
[M]- 470.14517 210.7
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.