CID 3066096

109493-57-4

Structural Information

Molecular Formula
C17H20N4O4S
SMILES
CC1=CC(=C2C(=N1)SC(=N)N(C2=O)C(=O)NC3CCCCC3)C(=O)OC
InChI
InChI=1S/C17H20N4O4S/c1-9-8-11(15(23)25-2)12-13(19-9)26-16(18)21(14(12)22)17(24)20-10-6-4-3-5-7-10/h8,10,18H,3-7H2,1-2H3,(H,20,24)
InChIKey
TYKMKGFIBBLLNW-UHFFFAOYSA-N
Compound name
methyl 3-(cyclohexylcarbamoyl)-2-imino-7-methyl-4-oxopyrido[3,2-e][1,3]thiazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1205 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.12778 183.7
[M+Na]+ 399.10972 193.8
[M+NH4]+ 394.15432 188.8
[M+K]+ 415.08366 187.3
[M-H]- 375.11322 186.0
[M+Na-2H]- 397.09517 187.6
[M]+ 376.11995 185.8
[M]- 376.12105 185.8
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.