CID 5334088

292871-35-3

Structural Information

Molecular Formula
C23H20N2O3S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)/C(=C\C4=CC=CC=C4)/S2)C
InChI
InChI=1S/C23H20N2O3S/c1-3-28-22(27)19-15(2)24-23-25(20(19)17-12-8-5-9-13-17)21(26)18(29-23)14-16-10-6-4-7-11-16/h4-14,20H,3H2,1-2H3/b18-14+
InChIKey
CBKYPVDLMPXQBL-NBVRZTHBSA-N
Compound name
ethyl (2E)-2-benzylidene-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

404.11948 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.12676 195.7
[M+Na]+ 427.10870 211.9
[M+NH4]+ 422.15330 203.0
[M+K]+ 443.08264 202.9
[M-H]- 403.11220 201.1
[M+Na-2H]- 425.09415 204.1
[M]+ 404.11893 200.1
[M]- 404.12003 200.1
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

patents stripe