CID 3153544

Isopropyl 6-[4-(acetyloxy)phenyl]-8-methyl-4-oxo-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula
C20H22N2O5S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)OC(=O)C)C(=O)OC(C)C
InChI
InChI=1S/C20H22N2O5S/c1-11(2)26-19(25)17-12(3)21-20-22(16(24)9-10-28-20)18(17)14-5-7-15(8-6-14)27-13(4)23/h5-8,11,18H,9-10H2,1-4H3
InChIKey
OXUQZELOATZUPT-UHFFFAOYSA-N
Compound name
propan-2-yl 6-(4-acetyloxyphenyl)-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

402.12494 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13222 191.8
[M+Na]+ 425.11416 203.0
[M+NH4]+ 420.15876 197.0
[M+K]+ 441.08810 196.5
[M-H]- 401.11766 193.2
[M+Na-2H]- 423.09961 195.0
[M]+ 402.12439 194.0
[M]- 402.12549 194.0
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.