CID 5898482

618072-20-1

Structural Information

Molecular Formula
C29H26N2O5S2
SMILES
CC1=C(C(N2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)/SC2=N1)C5=CC=CS5)C(=O)OCCOC
InChI
InChI=1S/C29H26N2O5S2/c1-19-25(28(33)35-15-14-34-2)26(23-9-6-16-37-23)31-27(32)24(38-29(31)30-19)17-20-10-12-22(13-11-20)36-18-21-7-4-3-5-8-21/h3-13,16-17,26H,14-15,18H2,1-2H3/b24-17-
InChIKey
HTBMDLZWIQCVSQ-ULJHMMPZSA-N
Compound name
2-methoxyethyl (2Z)-7-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methylidene]-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

546.1283 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.13558 227.5
[M+Na]+ 569.11752 242.7
[M+NH4]+ 564.16212 233.7
[M+K]+ 585.09146 233.5
[M-H]- 545.12102 234.0
[M+Na-2H]- 567.10297 235.7
[M]+ 546.12775 232.6
[M]- 546.12885 232.6
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.