CID 3153544

609795-27-9

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	403.132216	191.9
[M+Na]+	425.114158	197.7
[M-H]-	401.117664	196.1
[M+NH4]+	420.158763	201.3
[M+K]+	441.088098	194.5
[M+H-H2O]+	385.122200	183.0
[M+HCOO]-	447.123141	200.4
[M+CH3COO]-	461.138791	223.2
[M+Na-2H]-	423.099606	189.0
[M]+	402.12439142	196.0
[M]-	402.12548858	196.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.