CID 5735035

2-(ethylamino)-3-{(z)-[4-oxo-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C19H20N4O3S2
SMILES
CCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CC4CCCO4
InChI
InChI=1S/C19H20N4O3S2/c1-2-20-16-13(17(24)22-8-4-3-7-15(22)21-16)10-14-18(25)23(19(27)28-14)11-12-6-5-9-26-12/h3-4,7-8,10,12,20H,2,5-6,9,11H2,1H3/b14-10-
InChIKey
YGJFUMQJAMMBDO-UVTDQMKNSA-N
Compound name
(5Z)-5-[[2-(ethylamino)-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

416.0977 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.10498 196.8
[M+Na]+ 439.08692 206.4
[M-H]- 415.09042 204.5
[M+NH4]+ 434.13152 207.7
[M+K]+ 455.06086 200.0
[M+H-H2O]+ 399.09496 190.6
[M+HCOO]- 461.09590 204.8
[M+CH3COO]- 475.11155 205.7
[M+Na-2H]- 437.07237 191.8
[M]+ 416.09715 199.2
[M]- 416.09825 199.2
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.