CID 2060279

617696-69-2

Structural Information

Molecular Formula
C20H22N4O2S2
SMILES
CCNC1=C(C(=O)N2C=CC=C(C2=N1)C)/C=C/3\C(=O)N(C(=S)S3)C4CCCC4
InChI
InChI=1S/C20H22N4O2S2/c1-3-21-16-14(18(25)23-10-6-7-12(2)17(23)22-16)11-15-19(26)24(20(27)28-15)13-8-4-5-9-13/h6-7,10-11,13,21H,3-5,8-9H2,1-2H3/b15-11+
InChIKey
XZJAOKLLNXVSER-RVDMUPIBSA-N
Compound name
(5E)-3-cyclopentyl-5-[[2-(ethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1184 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12568 197.7
[M+Na]+ 437.10762 208.2
[M+NH4]+ 432.15222 204.2
[M+K]+ 453.08156 200.9
[M-H]- 413.11112 201.5
[M+Na-2H]- 435.09307 200.5
[M]+ 414.11785 200.9
[M]- 414.11895 200.9
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.