CID 1552247

378757-01-8

Structural Information

Molecular Formula
C19H20N4O3S2
SMILES
CCCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCOCC4)/SC1=S
InChI
InChI=1S/C19H20N4O3S2/c1-2-6-23-18(25)14(28-19(23)27)12-13-16(21-8-10-26-11-9-21)20-15-5-3-4-7-22(15)17(13)24/h3-5,7,12H,2,6,8-11H2,1H3/b14-12-
InChIKey
ICNXEQCGAOUKGK-OWBHPGMISA-N
Compound name
(5Z)-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.0977 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.10498 196.6
[M+Na]+ 439.08692 205.9
[M-H]- 415.09042 202.0
[M+NH4]+ 434.13152 204.2
[M+K]+ 455.06086 198.8
[M+H-H2O]+ 399.09496 188.5
[M+HCOO]- 461.09590 199.9
[M+CH3COO]- 475.11155 204.3
[M+Na-2H]- 437.07237 192.0
[M]+ 416.09715 197.2
[M]- 416.09825 197.2
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.