CID 6140608

477734-64-8

Structural Information

Molecular Formula
C24H28N4O4S2
SMILES
CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC5CCCO5
InChI
InChI=1S/C24H28N4O4S2/c1-14-6-4-8-27-20(14)25-21(26-11-15(2)32-16(3)12-26)18(22(27)29)10-19-23(30)28(24(33)34-19)13-17-7-5-9-31-17/h4,6,8,10,15-17H,5,7,9,11-13H2,1-3H3/b19-10-
InChIKey
PFMKXYKEVOBINJ-GRSHGNNSSA-N
Compound name
(5Z)-5-[[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-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

500.1552 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.16248 220.5
[M+Na]+ 523.14442 229.5
[M-H]- 499.14792 230.2
[M+NH4]+ 518.18902 225.7
[M+K]+ 539.11836 223.9
[M+H-H2O]+ 483.15246 214.3
[M+HCOO]- 545.15340 221.5
[M+CH3COO]- 559.16905 227.3
[M+Na-2H]- 521.12987 209.7
[M]+ 500.15465 222.1
[M]- 500.15575 222.1
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.