CID 6374741

617698-67-6

Structural Information

Molecular Formula
C24H22N2O4S2
SMILES
CC1=C(C(N2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=N1)C4=CC=CS4)C(=O)OCCOC
InChI
InChI=1S/C24H22N2O4S2/c1-16-20(23(28)30-14-13-29-2)21(18-12-7-15-31-18)26-22(27)19(32-24(26)25-16)11-6-10-17-8-4-3-5-9-17/h3-12,15,21H,13-14H2,1-2H3/b10-6+,19-11+
InChIKey
UAPOEPPKHZEFRV-ABILJCPISA-N
Compound name
2-methoxyethyl (2E)-7-methyl-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-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

466.1021 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.10938 213.1
[M+Na]+ 489.09132 224.5
[M-H]- 465.09482 222.7
[M+NH4]+ 484.13592 225.0
[M+K]+ 505.06526 216.8
[M+H-H2O]+ 449.09936 206.2
[M+HCOO]- 511.10030 226.4
[M+CH3COO]- 525.11595 222.8
[M+Na-2H]- 487.07677 208.7
[M]+ 466.10155 223.5
[M]- 466.10265 223.5
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.