CID 6154080

624726-71-2

Structural Information

Molecular Formula
C27H23N3O5S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)/C(=C\4/C5=CC=CC=C5N(C4=O)C(=O)C)/S2)C
InChI
InChI=1S/C27H23N3O5S/c1-5-35-26(34)20-15(3)28-27-30(22(20)17-12-10-14(2)11-13-17)25(33)23(36-27)21-18-8-6-7-9-19(18)29(16(4)31)24(21)32/h6-13,22H,5H2,1-4H3/b23-21+
InChIKey
LVQFNMYLFBFDRJ-XTQSDGFTSA-N
Compound name
ethyl (2E)-2-(1-acetyl-2-oxoindol-3-ylidene)-7-methyl-5-(4-methylphenyl)-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

501.13583 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.14311 221.2
[M+Na]+ 524.12505 235.3
[M+NH4]+ 519.16965 226.0
[M+K]+ 540.09899 230.4
[M-H]- 500.12855 224.5
[M+Na-2H]- 522.11050 224.6
[M]+ 501.13528 224.5
[M]- 501.13638 224.5
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.