CID 1919623

2-[(2-furylmethyl)amino]-3-[(z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C20H18N4O3S2
SMILES
CCCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCC4=CC=CO4)/SC1=S
InChI
InChI=1S/C20H18N4O3S2/c1-2-8-24-19(26)15(29-20(24)28)11-14-17(21-12-13-6-5-10-27-13)22-16-7-3-4-9-23(16)18(14)25/h3-7,9-11,21H,2,8,12H2,1H3/b15-11-
InChIKey
HLUYVOOWZPUTLO-PTNGSMBKSA-N
Compound name
(5Z)-5-[[2-(furan-2-ylmethylamino)-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

426.08203 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.08931 199.1
[M+Na]+ 449.07125 212.0
[M+NH4]+ 444.11585 205.1
[M+K]+ 465.04519 204.6
[M-H]- 425.07475 204.3
[M+Na-2H]- 447.05670 203.4
[M]+ 426.08148 203.2
[M]- 426.08258 203.2
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.