CID 1600978

2-(benzylamino)-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
C22H20N4O2S2
SMILES
CCCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCC4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C22H20N4O2S2/c1-2-11-26-21(28)17(30-22(26)29)13-16-19(23-14-15-8-4-3-5-9-15)24-18-10-6-7-12-25(18)20(16)27/h3-10,12-13,23H,2,11,14H2,1H3/b17-13-
InChIKey
SCHRCKXANGZOOD-LGMDPLHJSA-N
Compound name
(5Z)-5-[[2-(benzylamino)-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

436.10278 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.11006 200.8
[M+Na]+ 459.09200 214.3
[M+NH4]+ 454.13660 207.4
[M+K]+ 475.06594 203.7
[M-H]- 435.09550 205.7
[M+Na-2H]- 457.07745 206.8
[M]+ 436.10223 204.9
[M]- 436.10333 204.9
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.