CID 4990174

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

Structural Information

Molecular Formula
C18H19FN2O3S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=CC=C3)F)C(=O)OC(C)C
InChI
InChI=1S/C18H19FN2O3S/c1-10(2)24-17(23)15-11(3)20-18-21(14(22)7-8-25-18)16(15)12-5-4-6-13(19)9-12/h4-6,9-10,16H,7-8H2,1-3H3
InChIKey
ZMXITDYTKIAPRS-UHFFFAOYSA-N
Compound name
propan-2-yl 6-(3-fluorophenyl)-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

362.11005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11733 182.0
[M+Na]+ 385.09927 189.4
[M-H]- 361.10277 185.2
[M+NH4]+ 380.14387 193.5
[M+K]+ 401.07321 184.6
[M+H-H2O]+ 345.10731 172.4
[M+HCOO]- 407.10825 190.6
[M+CH3COO]- 421.12390 215.9
[M+Na-2H]- 383.08472 179.8
[M]+ 362.10950 182.9
[M]- 362.11060 182.9
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.