CID 16429142

2-[(2-furylmethyl)amino]-3-{(e)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C22H22N4O4S2
SMILES
CC1=CN2C(=NC(=C(C2=O)/C=C/3\C(=O)N(C(=S)S3)CCCOC)NCC4=CC=CO4)C=C1
InChI
InChI=1S/C22H22N4O4S2/c1-14-6-7-18-24-19(23-12-15-5-3-10-30-15)16(20(27)26(18)13-14)11-17-21(28)25(22(31)32-17)8-4-9-29-2/h3,5-7,10-11,13,23H,4,8-9,12H2,1-2H3/b17-11+
InChIKey
OIRRHIGCUFNCCD-GZTJUZNOSA-N
Compound name
(5E)-5-[[2-(furan-2-ylmethylamino)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.10825 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.11553 211.9
[M+Na]+ 493.09747 224.1
[M+NH4]+ 488.14207 217.0
[M+K]+ 509.07141 217.0
[M-H]- 469.10097 216.6
[M+Na-2H]- 491.08292 215.0
[M]+ 470.10770 215.7
[M]- 470.10880 215.7
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.