CID 16429218

617698-63-2

Structural Information

Molecular Formula
C22H20N2O4S2
SMILES
CC1=C(C(N2C(=O)/C(=C\C3=CC=CC=C3)/SC2=N1)C4=CC=CS4)C(=O)OCCOC
InChI
InChI=1S/C22H20N2O4S2/c1-14-18(21(26)28-11-10-27-2)19(16-9-6-12-29-16)24-20(25)17(30-22(24)23-14)13-15-7-4-3-5-8-15/h3-9,12-13,19H,10-11H2,1-2H3/b17-13+
InChIKey
WUEBHKRIIYNKQH-GHRIWEEISA-N
Compound name
2-methoxyethyl (2E)-2-benzylidene-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

440.08646 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.09374 201.9
[M+Na]+ 463.07568 215.9
[M+NH4]+ 458.12028 208.7
[M+K]+ 479.04962 207.8
[M-H]- 439.07918 206.3
[M+Na-2H]- 461.06113 208.2
[M]+ 440.08591 206.1
[M]- 440.08701 206.1
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

No patent data available for this compound.