CID 3697739

2-methoxyethyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula
C21H26N2O7S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCCOC
InChI
InChI=1S/C21H26N2O7S/c1-12-17(20(25)30-8-7-26-2)18(23-16(24)6-9-31-21(23)22-12)13-10-14(27-3)19(29-5)15(11-13)28-4/h10-11,18H,6-9H2,1-5H3
InChIKey
RKWRJVROIXMPLP-UHFFFAOYSA-N
Compound name
2-methoxyethyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-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

450.14606 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.153336 203.5
[M+Na]+ 473.135278 209.9
[M-H]- 449.138784 207.8
[M+NH4]+ 468.179883 211.2
[M+K]+ 489.109218 207.6
[M+H-H2O]+ 433.143320 193.7
[M+HCOO]- 495.144261 213.6
[M+CH3COO]- 509.159911 232.5
[M+Na-2H]- 471.120726 201.2
[M]+ 450.14551142 213.2
[M]- 450.14660858 213.2
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.