CID 1940766

Salor-int l247227-1ea

Structural Information

Molecular Formula
C21H24N4O2S2
SMILES
CCCCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)NCC=C)/SC1=S
InChI
InChI=1S/C21H24N4O2S2/c1-4-6-7-11-25-20(27)16(29-21(25)28)13-15-17(22-10-5-2)23-18-14(3)9-8-12-24(18)19(15)26/h5,8-9,12-13,22H,2,4,6-7,10-11H2,1,3H3/b16-13-
InChIKey
PSSVQRCTTXJAEQ-SSZFMOIBSA-N
Compound name
(5Z)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.13406 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.14134 205.0
[M+Na]+ 451.12328 216.0
[M+NH4]+ 446.16788 210.2
[M+K]+ 467.09722 205.9
[M-H]- 427.12678 206.8
[M+Na-2H]- 449.10873 206.5
[M]+ 428.13351 207.7
[M]- 428.13461 207.7
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.