CID 117064583

624726-61-0

Structural Information

Molecular Formula
C29H25ClN2O6S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)/C(=C\C4=CC=C(O4)C5=CC=CC=C5Cl)/S2)C
InChI
InChI=1S/C29H25ClN2O6S/c1-5-37-28(34)25-16(2)31-29-32(26(25)17-10-12-22(35-3)23(14-17)36-4)27(33)24(39-29)15-18-11-13-21(38-18)19-8-6-7-9-20(19)30/h6-15,26H,5H2,1-4H3/b24-15+
InChIKey
JLMXLQUVOMQMRW-BUVRLJJBSA-N
Compound name
ethyl (2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-(3,4-dimethoxyphenyl)-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

564.1122 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.11948 235.6
[M+Na]+ 587.10142 253.3
[M+NH4]+ 582.14602 241.1
[M+K]+ 603.07536 246.3
[M-H]- 563.10492 243.3
[M+Na-2H]- 585.08687 242.4
[M]+ 564.11165 241.3
[M]- 564.11275 241.3
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.