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 178.5
[M+Na]+ 366.12466 184.8
[M-H]- 342.12816 181.5
[M+NH4]+ 361.16926 192.0
[M+K]+ 382.09860 180.8
[M+H-H2O]+ 326.13270 169.4
[M+HCOO]- 388.13364 191.6
[M+CH3COO]- 402.14929 216.0
[M+Na-2H]- 364.11011 182.7
[M]+ 343.13489 183.6
[M]- 343.13599 183.6
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.