CID 5810336

Isobutyl 8-methyl-4-oxo-6-[(e)-2-phenylethenyl]-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula
C21H24N2O3S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)/C=C/C3=CC=CC=C3)C(=O)OCC(C)C
InChI
InChI=1S/C21H24N2O3S/c1-14(2)13-26-20(25)19-15(3)22-21-23(18(24)11-12-27-21)17(19)10-9-16-7-5-4-6-8-16/h4-10,14,17H,11-13H2,1-3H3/b10-9+
InChIKey
OXFMYEMPCXOHHB-MDZDMXLPSA-N
Compound name
2-methylpropyl 8-methyl-4-oxo-6-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

384.15076 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15804 191.0
[M+Na]+ 407.13998 203.1
[M+NH4]+ 402.18458 197.4
[M+K]+ 423.11392 194.1
[M-H]- 383.14348 193.5
[M+Na-2H]- 405.12543 195.2
[M]+ 384.15021 193.7
[M]- 384.15131 193.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.