CID 16427984

609795-89-3

Structural Information

Molecular Formula
C26H23N3O4S2
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)/C(=C/4\C5=CC=CC=C5N(C4=O)C)/S2)C
InChI
InChI=1S/C26H23N3O4S2/c1-5-33-25(32)19-14(2)27-26-29(21(19)15-10-12-16(34-4)13-11-15)24(31)22(35-26)20-17-8-6-7-9-18(17)28(3)23(20)30/h6-13,21H,5H2,1-4H3/b22-20-
InChIKey
BOVMUGCBJFVQCO-XDOYNYLZSA-N
Compound name
ethyl (2Z)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-5-(4-methylsulfanylphenyl)-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

505.113 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.12028 221.3
[M+Na]+ 528.10222 235.7
[M+NH4]+ 523.14682 227.5
[M+K]+ 544.07616 227.7
[M-H]- 504.10572 225.6
[M+Na-2H]- 526.08767 225.1
[M]+ 505.11245 225.5
[M]- 505.11355 225.5
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.