CID 3868022

Benzyl 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
C25H26N2O6S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C25H26N2O6S/c1-15-21(24(29)33-14-16-8-6-5-7-9-16)22(27-20(28)10-11-34-25(27)26-15)17-12-18(30-2)23(32-4)19(13-17)31-3/h5-9,12-13,22H,10-11,14H2,1-4H3
InChIKey
OJQKVWVYCUDAKN-UHFFFAOYSA-N
Compound name
benzyl 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

482.15115 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.15843 214.6
[M+Na]+ 505.14037 220.7
[M-H]- 481.14387 221.8
[M+NH4]+ 500.18497 220.4
[M+K]+ 521.11431 216.6
[M+H-H2O]+ 465.14841 203.1
[M+HCOO]- 527.14935 224.4
[M+CH3COO]- 541.16500 238.1
[M+Na-2H]- 503.12582 212.3
[M]+ 482.15060 221.3
[M]- 482.15170 221.3
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.