CID 24844988

102207-66-9

Structural Information

Molecular Formula
C14H17N3O3S
SMILES
CCCN=C1N(C(=O)C2=C(C=C(N=C2S1)C)C(=O)OC)C
InChI
InChI=1S/C14H17N3O3S/c1-5-6-15-14-17(3)12(18)10-9(13(19)20-4)7-8(2)16-11(10)21-14/h7H,5-6H2,1-4H3
InChIKey
RBIUKFAEEOBNJS-UHFFFAOYSA-N
Compound name
methyl 3,7-dimethyl-4-oxo-2-propyliminopyrido[3,2-e][1,3]thiazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.09906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.106336 167.7
[M+Na]+ 330.088278 178.7
[M-H]- 306.091784 171.8
[M+NH4]+ 325.132883 182.8
[M+K]+ 346.062218 174.7
[M+H-H2O]+ 290.096320 159.7
[M+HCOO]- 352.097261 185.1
[M+CH3COO]- 366.112911 209.7
[M+Na-2H]- 328.073726 170.1
[M]+ 307.09851142 175.8
[M]- 307.09960858 175.8
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.