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 169.7
[M+Na]+ 338.09338 176.9
[M-H]- 314.09688 173.1
[M+NH4]+ 333.13798 184.4
[M+K]+ 354.06732 173.4
[M+H-H2O]+ 298.10142 161.0
[M+HCOO]- 360.10236 183.5
[M+CH3COO]- 374.11801 180.0
[M+Na-2H]- 336.07883 174.9
[M]+ 315.10361 174.2
[M]- 315.10471 174.2
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.