CID 5766160

372970-11-1

Structural Information

Molecular Formula
C20H22N4O3S2
SMILES
CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)C
InChI
InChI=1S/C20H22N4O3S2/c1-11-6-5-7-24-16(11)21-17(23-9-12(2)27-13(3)10-23)14(18(24)25)8-15-19(26)22(4)20(28)29-15/h5-8,12-13H,9-10H2,1-4H3/b15-8-
InChIKey
FGIVIHRGYBTBGM-NVNXTCNLSA-N
Compound name
(5Z)-5-[[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.11334 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12062 204.1
[M+Na]+ 453.10256 217.3
[M+NH4]+ 448.14716 209.8
[M+K]+ 469.07650 208.7
[M-H]- 429.10606 208.4
[M+Na-2H]- 451.08801 205.7
[M]+ 430.11279 208.0
[M]- 430.11389 208.0
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.