CID 1391246

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

Structural Information

Molecular Formula
C17H16N4O2S2
SMILES
CCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CC=C
InChI
InChI=1S/C17H16N4O2S2/c1-3-8-21-16(23)12(25-17(21)24)10-11-14(18-4-2)19-13-7-5-6-9-20(13)15(11)22/h3,5-7,9-10,18H,1,4,8H2,2H3/b12-10-
InChIKey
PAIRTNWQYRYYHL-BENRWUELSA-N
Compound name
(5Z)-5-[[2-(ethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

372.07147 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07875 185.2
[M+Na]+ 395.06069 196.1
[M-H]- 371.06419 189.0
[M+NH4]+ 390.10529 197.5
[M+K]+ 411.03463 186.9
[M+H-H2O]+ 355.06873 178.0
[M+HCOO]- 417.06967 194.3
[M+CH3COO]- 431.08532 216.9
[M+Na-2H]- 393.04614 182.6
[M]+ 372.07092 188.0
[M]- 372.07202 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.