CID 5342031

324071-90-1

Structural Information

Molecular Formula
C24H22N2O3S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)/C(=C/C4=CC=CC=C4)/S2)C
InChI
InChI=1S/C24H22N2O3S/c1-4-29-23(28)20-16(3)25-24-26(21(20)18-12-10-15(2)11-13-18)22(27)19(30-24)14-17-8-6-5-7-9-17/h5-14,21H,4H2,1-3H3/b19-14-
InChIKey
AOEQMOUYLMHWGH-RGEXLXHISA-N
Compound name
ethyl (2Z)-2-benzylidene-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

418.1351 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.14238 202.2
[M+Na]+ 441.12432 212.9
[M-H]- 417.12782 211.4
[M+NH4]+ 436.16892 213.6
[M+K]+ 457.09826 205.5
[M+H-H2O]+ 401.13236 192.8
[M+HCOO]- 463.13330 217.5
[M+CH3COO]- 477.14895 212.3
[M+Na-2H]- 439.10977 199.8
[M]+ 418.13455 208.7
[M]- 418.13565 208.7
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.