CID 5923455

618071-65-1

Structural Information

Molecular Formula
C24H24N2O5S2
SMILES
CCOC1=CC=CC=C1/C=C/2\C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCCOC)C4=CC=CS4
InChI
InChI=1S/C24H24N2O5S2/c1-4-30-17-9-6-5-8-16(17)14-19-22(27)26-21(18-10-7-13-32-18)20(15(2)25-24(26)33-19)23(28)31-12-11-29-3/h5-10,13-14,21H,4,11-12H2,1-3H3/b19-14+
InChIKey
YTTNQOGTEINCAD-XMHGGMMESA-N
Compound name
2-methoxyethyl (2E)-2-[(2-ethoxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.11267 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.11995 215.8
[M+Na]+ 507.10189 226.9
[M-H]- 483.10539 225.6
[M+NH4]+ 502.14649 226.9
[M+K]+ 523.07583 220.6
[M+H-H2O]+ 467.10993 208.9
[M+HCOO]- 529.11087 228.9
[M+CH3COO]- 543.12652 232.0
[M+Na-2H]- 505.08734 211.3
[M]+ 484.11212 228.6
[M]- 484.11322 228.6
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.