CID 5349962

372978-11-5

Structural Information

Molecular Formula
C25H30N4O3S2
SMILES
CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)C5CCCCC5
InChI
InChI=1S/C25H30N4O3S2/c1-15-8-7-11-28-21(15)26-22(27-13-16(2)32-17(3)14-27)19(23(28)30)12-20-24(31)29(25(33)34-20)18-9-5-4-6-10-18/h7-8,11-12,16-18H,4-6,9-10,13-14H2,1-3H3/b20-12-
InChIKey
GDDPASFNBPRCSD-NDENLUEZSA-N
Compound name
(5Z)-3-cyclohexyl-5-[[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.17593 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.18321 220.5
[M+Na]+ 521.16515 227.7
[M-H]- 497.16865 227.9
[M+NH4]+ 516.20975 224.6
[M+K]+ 537.13909 219.8
[M+H-H2O]+ 481.17319 211.5
[M+HCOO]- 543.17413 218.9
[M+CH3COO]- 557.18978 225.7
[M+Na-2H]- 519.15060 211.0
[M]+ 498.17538 217.8
[M]- 498.17648 217.8
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.