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

0
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 191.4
[M+Na]+ 407.13998 196.9
[M-H]- 383.14348 195.1
[M+NH4]+ 402.18458 201.7
[M+K]+ 423.11392 191.4
[M+H-H2O]+ 367.14802 182.1
[M+HCOO]- 429.14896 200.3
[M+CH3COO]- 443.16461 219.5
[M+Na-2H]- 405.12543 189.0
[M]+ 384.15021 193.0
[M]- 384.15131 193.0
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.