CID 3671650

Salor-int l441600-1ea

Structural Information

Molecular Formula
C17H17IN2O3S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)I)C(=O)CCS2)C
InChI
InChI=1S/C17H17IN2O3S/c1-3-23-16(22)14-10(2)19-17-20(13(21)8-9-24-17)15(14)11-4-6-12(18)7-5-11/h4-7,15H,3,8-9H2,1-2H3
InChIKey
VWOFLUSJSLOCFR-UHFFFAOYSA-N
Compound name
ethyl 6-(4-iodophenyl)-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

456.00046 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.00774 191.2
[M+Na]+ 478.98968 196.5
[M+NH4]+ 474.03428 194.0
[M+K]+ 494.96362 191.0
[M-H]- 454.99318 187.9
[M+Na-2H]- 476.97513 183.2
[M]+ 455.99991 190.3
[M]- 456.00101 190.3
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.