CID 3371426

618411-49-7

Structural Information

Molecular Formula
C20H24N2O5S
SMILES
CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OC)C3=CC(=C(C=C3)OCC)OC
InChI
InChI=1S/C20H24N2O5S/c1-6-15-18(23)22-17(12-8-9-13(27-7-2)14(10-12)25-4)16(19(24)26-5)11(3)21-20(22)28-15/h8-10,15,17H,6-7H2,1-5H3
InChIKey
ZMJJBYAVPDQPRL-UHFFFAOYSA-N
Compound name
methyl 5-(4-ethoxy-3-methoxyphenyl)-2-ethyl-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

404.1406 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.14788 195.2
[M+Na]+ 427.12982 204.1
[M-H]- 403.13332 200.8
[M+NH4]+ 422.17442 207.5
[M+K]+ 443.10376 200.5
[M+H-H2O]+ 387.13786 187.5
[M+HCOO]- 449.13880 207.8
[M+CH3COO]- 463.15445 224.5
[M+Na-2H]- 425.11527 191.0
[M]+ 404.14005 204.4
[M]- 404.14115 204.4
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.