CID 5334088

292871-35-3

Structural Information

Molecular Formula

C₂₃H₂₀N₂O₃S

SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)/C(=C\C4=CC=CC=C4)/S2)C

InChI

InChI=1S/C23H20N2O3S/c1-3-28-22(27)19-15(2)24-23-25(20(19)17-12-8-5-9-13-17)21(26)18(29-23)14-16-10-6-4-7-11-16/h4-14,20H,3H2,1-2H3/b18-14+

InChIKey

CBKYPVDLMPXQBL-NBVRZTHBSA-N

Compound name

ethyl (2E)-2-benzylidene-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 404.11948 Da
Monoisotopic Mass: 4.5
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]+	405.126756	197.8
[M+Na]+	427.108698	208.1
[M-H]-	403.112204	206.8
[M+NH4]+	422.153303	209.4
[M+K]+	443.082638	200.9
[M+H-H2O]+	387.116740	188.4
[M+HCOO]-	449.117681	213.5
[M+CH3COO]-	463.133331	208.0
[M+Na-2H]-	425.094146	196.5
[M]+	404.11893142	203.5
[M]-	404.12002858	203.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe