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 184.3
[M+Na]+ 399.10972 190.6
[M-H]- 375.11322 188.8
[M+NH4]+ 394.15432 194.4
[M+K]+ 415.08366 186.0
[M+H-H2O]+ 359.11776 175.3
[M+HCOO]- 421.11870 196.7
[M+CH3COO]- 435.13435 220.6
[M+Na-2H]- 397.09517 185.1
[M]+ 376.11995 184.4
[M]- 376.12105 184.4
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.