CID 2729422

Ethyl 7-methyl-3-oxo-5-phenyl-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C16H16N2O3S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)CS2)C
InChI
InChI=1S/C16H16N2O3S/c1-3-21-15(20)13-10(2)17-16-18(12(19)9-22-16)14(13)11-7-5-4-6-8-11/h4-8,14H,3,9H2,1-2H3
InChIKey
AYLZZJGWMCMKFX-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

316.08817 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.095446 172.3
[M+Na]+ 339.077388 181.4
[M-H]- 315.080894 177.8
[M+NH4]+ 334.121993 187.9
[M+K]+ 355.051328 177.1
[M+H-H2O]+ 299.085430 164.8
[M+HCOO]- 361.086371 186.2
[M+CH3COO]- 375.102021 204.6
[M+Na-2H]- 337.062836 171.3
[M]+ 316.08762142 176.2
[M]- 316.08871858 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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