CID 3067846

82140-63-4

Structural Information

Molecular Formula
C12H13N3O3S
SMILES
CC1=CC(=C2C(=N1)SC(=NC)N(C2=O)C)C(=O)OC
InChI
InChI=1S/C12H13N3O3S/c1-6-5-7(11(17)18-4)8-9(14-6)19-12(13-2)15(3)10(8)16/h5H,1-4H3
InChIKey
AHYHDVDMIHICPV-UHFFFAOYSA-N
Compound name
methyl 3,7-dimethyl-2-methylimino-4-oxopyrido[3,2-e][1,3]thiazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06775 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07503 158.7
[M+Na]+ 302.05697 170.7
[M-H]- 278.06047 163.3
[M+NH4]+ 297.10157 175.0
[M+K]+ 318.03091 167.1
[M+H-H2O]+ 262.06501 151.2
[M+HCOO]- 324.06595 176.8
[M+CH3COO]- 338.08160 203.7
[M+Na-2H]- 300.04242 162.1
[M]+ 279.06720 166.2
[M]- 279.06830 166.2
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.