CID 6264651

333344-87-9

Structural Information

Molecular Formula
C23H22N2O4S2
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)/C(=C/C4=C(C=CS4)C)/S2)C
InChI
InChI=1S/C23H22N2O4S2/c1-5-29-22(27)19-14(3)24-23-25(20(19)15-6-8-16(28-4)9-7-15)21(26)18(31-23)12-17-13(2)10-11-30-17/h6-12,20H,5H2,1-4H3/b18-12-
InChIKey
ROZNKZCWWDZTJI-PDGQHHTCSA-N
Compound name
ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.1021 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.10938 208.3
[M+Na]+ 477.09132 222.7
[M+NH4]+ 472.13592 214.9
[M+K]+ 493.06526 214.7
[M-H]- 453.09482 212.7
[M+Na-2H]- 475.07677 213.8
[M]+ 454.10155 212.6
[M]- 454.10265 212.6
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.