CID 5766163

372976-76-6

Structural Information

Molecular Formula
C23H28N4O4S2
SMILES
CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CCCOC
InChI
InChI=1S/C23H28N4O4S2/c1-14-7-5-8-26-19(14)24-20(25-12-15(2)31-16(3)13-25)17(21(26)28)11-18-22(29)27(23(32)33-18)9-6-10-30-4/h5,7-8,11,15-16H,6,9-10,12-13H2,1-4H3/b18-11-
InChIKey
OFYYIWLNOYWOBK-WQRHYEAKSA-N
Compound name
(5Z)-5-[[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.1552 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.16248 219.0
[M+Na]+ 511.14442 231.0
[M+NH4]+ 506.18902 223.6
[M+K]+ 527.11836 222.4
[M-H]- 487.14792 222.7
[M+Na-2H]- 509.12987 219.6
[M]+ 488.15465 222.5
[M]- 488.15575 222.5
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.