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]+ 308.10634 167.7
[M+Na]+ 330.08828 178.7
[M-H]- 306.09178 171.8
[M+NH4]+ 325.13288 182.8
[M+K]+ 346.06222 174.7
[M+H-H2O]+ 290.09632 159.7
[M+HCOO]- 352.09726 185.1
[M+CH3COO]- 366.11291 209.7
[M+Na-2H]- 328.07373 170.1
[M]+ 307.09851 175.8
[M]- 307.09961 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.