CID 117064582

357433-88-6

Structural Information

Molecular Formula
C28H30N2O4S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)/C(=C\C4=CC=C(C=C4)C(C)(C)C)/S2)C
InChI
InChI=1S/C28H30N2O4S/c1-7-34-26(32)23-17(2)29-27-30(24(23)19-10-14-21(33-6)15-11-19)25(31)22(35-27)16-18-8-12-20(13-9-18)28(3,4)5/h8-16,24H,7H2,1-6H3/b22-16+
InChIKey
GIPSNNUWHXHCJK-CJLVFECKSA-N
Compound name
ethyl (2E)-2-[(4-tert-butylphenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-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

490.19263 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.19991 222.1
[M+Na]+ 513.18185 237.0
[M+NH4]+ 508.22645 227.7
[M+K]+ 529.15579 229.0
[M-H]- 489.18535 226.4
[M+Na-2H]- 511.16730 228.4
[M]+ 490.19208 226.1
[M]- 490.19318 226.1
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.