CID 2939074

609795-00-8

Structural Information

Molecular Formula
C22H18N2O6S
SMILES
CC1=C(C(N2C(=O)/C(=C/C3=CC=CO3)/SC2=N1)C4=CC=C(C=C4)C(=O)OC)C(=O)OC
InChI
InChI=1S/C22H18N2O6S/c1-12-17(21(27)29-3)18(13-6-8-14(9-7-13)20(26)28-2)24-19(25)16(31-22(24)23-12)11-15-5-4-10-30-15/h4-11,18H,1-3H3/b16-11-
InChIKey
UMPBOSVMJAMGIS-WJDWOHSUSA-N
Compound name
methyl (2Z)-2-(furan-2-ylmethylidene)-5-(4-methoxycarbonylphenyl)-7-methyl-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

438.08856 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.09584 201.4
[M+Na]+ 461.07778 215.5
[M+NH4]+ 456.12238 206.3
[M+K]+ 477.05172 211.9
[M-H]- 437.08128 205.7
[M+Na-2H]- 459.06323 206.5
[M]+ 438.08801 205.0
[M]- 438.08911 205.0
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.