CID 3048133

D 232

Structural Information

Molecular Formula
C17H19N3O2S
SMILES
CN(C)CCCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C17H19N3O2S/c1-19(2)11-6-12-22-17(21)20-13-7-3-4-8-14(13)23-15-9-5-10-18-16(15)20/h3-5,7-10H,6,11-12H2,1-2H3
InChIKey
QGFPSOJNVAAJIV-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1198 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12708 174.1
[M+Na]+ 352.10902 180.9
[M-H]- 328.11252 177.3
[M+NH4]+ 347.15362 188.2
[M+K]+ 368.08296 177.1
[M+H-H2O]+ 312.11706 165.2
[M+HCOO]- 374.11800 187.6
[M+CH3COO]- 388.13365 213.1
[M+Na-2H]- 350.09447 178.8
[M]+ 329.11925 178.9
[M]- 329.12035 178.9
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.