CID 3066097

109493-58-5

Structural Information

Molecular Formula
C20H18N4O4S
SMILES
CC1=CC(=C2C(=N1)SC(=NCC=C)N(C2=O)C(=O)NC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C20H18N4O4S/c1-4-10-21-20-24(19(27)23-13-8-6-5-7-9-13)17(25)15-14(18(26)28-3)11-12(2)22-16(15)29-20/h4-9,11H,1,10H2,2-3H3,(H,23,27)
InChIKey
JEEPXZUNAFMJKE-UHFFFAOYSA-N
Compound name
methyl 7-methyl-4-oxo-3-(phenylcarbamoyl)-2-prop-2-enyliminopyrido[3,2-e][1,3]thiazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1049 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.11218 194.2
[M+Na]+ 433.09412 207.1
[M+NH4]+ 428.13872 199.0
[M+K]+ 449.06806 198.7
[M-H]- 409.09762 197.3
[M+Na-2H]- 431.07957 200.3
[M]+ 410.10435 197.1
[M]- 410.10545 197.1
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.