CID 3728912

609795-87-1

Structural Information

Molecular Formula
C24H24N2O3S
SMILES
CCC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C24H24N2O3S/c1-3-17-9-11-19(12-10-17)22-21(23(28)29-15-18-7-5-4-6-8-18)16(2)25-24-26(22)20(27)13-14-30-24/h4-12,22H,3,13-15H2,1-2H3
InChIKey
PGZVXQHKGMNCCU-UHFFFAOYSA-N
Compound name
benzyl 6-(4-ethylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.15076 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15804 199.6
[M+Na]+ 443.13998 214.8
[M+NH4]+ 438.18458 207.1
[M+K]+ 459.11392 204.1
[M-H]- 419.14348 205.5
[M+Na-2H]- 441.12543 207.4
[M]+ 420.15021 204.0
[M]- 420.15131 204.0
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.