CID 3048195

D 231

Structural Information

Molecular Formula
C18H21N3O2S
SMILES
CCN(CC)CCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C18H21N3O2S/c1-3-20(4-2)12-13-23-18(22)21-14-8-5-6-9-15(14)24-16-10-7-11-19-17(16)21/h5-11H,3-4,12-13H2,1-2H3
InChIKey
WEWBCGTZHVVHJG-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.13544 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14272 178.3
[M+Na]+ 366.12466 190.8
[M+NH4]+ 361.16926 186.4
[M+K]+ 382.09860 181.3
[M-H]- 342.12816 181.2
[M+Na-2H]- 364.11011 183.7
[M]+ 343.13489 181.3
[M]- 343.13599 181.3
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.