CID 5901101

609796-16-9

Structural Information

Molecular Formula

C₁₈H₂₀N₄O₂S₂

SMILES

CCC(C)N1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCC)/SC1=S

InChI

InChI=1S/C18H20N4O2S2/c1-4-11(3)22-17(24)13(26-18(22)25)10-12-15(19-5-2)20-14-8-6-7-9-21(14)16(12)23/h6-11,19H,4-5H2,1-3H3/b13-10-

InChIKey

YOLVEDKLJAVXRP-RAXLEYEMSA-N

Compound name

(5Z)-3-butan-2-yl-5-[[2-(ethylamino)-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: 388.10278 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	389.110056	189.3
[M+Na]+	411.091998	199.0
[M-H]-	387.095504	193.0
[M+NH4]+	406.136603	200.9
[M+K]+	427.065938	190.9
[M+H-H2O]+	371.100040	182.1
[M+HCOO]-	433.100981	196.8
[M+CH3COO]-	447.116631	221.3
[M+Na-2H]-	409.077446	185.6
[M]+	388.10223142	192.7
[M]-	388.10332858	192.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.