CID 3048131

D 222

Structural Information

Molecular Formula
C16H17N3O2S
SMILES
CN(C)CCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C16H17N3O2S/c1-18(2)10-11-21-16(20)19-12-6-3-4-7-13(12)22-14-8-5-9-17-15(14)19/h3-9H,10-11H2,1-2H3
InChIKey
OHDVJPHXKAVGIO-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.10416 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11144 169.5
[M+Na]+ 338.09338 182.5
[M+NH4]+ 333.13798 178.0
[M+K]+ 354.06732 173.5
[M-H]- 314.09688 172.6
[M+Na-2H]- 336.07883 175.5
[M]+ 315.10361 172.7
[M]- 315.10471 172.7
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.