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 195.6
[M+Na]+ 433.09412 204.3
[M-H]- 409.09762 202.3
[M+NH4]+ 428.13872 205.1
[M+K]+ 449.06806 198.6
[M+H-H2O]+ 393.10216 185.4
[M+HCOO]- 455.10310 212.9
[M+CH3COO]- 469.11875 229.0
[M+Na-2H]- 431.07957 197.8
[M]+ 410.10435 201.6
[M]- 410.10545 201.6
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.