CID 3048559

D 721

Structural Information

Molecular Formula
C20H24N3O2S
SMILES
C[N+]1(CCCCC1)CCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C20H24N3O2S/c1-23(12-5-2-6-13-23)14-15-25-20(24)22-16-8-3-4-9-17(16)26-18-10-7-11-21-19(18)22/h3-4,7-11H,2,5-6,12-15H2,1H3/q+1
InChIKey
GNRVCHOGVRDJLC-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-1-ium-1-yl)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15894 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16622 185.0
[M+Na]+ 393.14816 189.9
[M-H]- 369.15166 187.7
[M+NH4]+ 388.19276 196.8
[M+K]+ 409.12210 178.8
[M+H-H2O]+ 353.15620 176.8
[M+HCOO]- 415.15714 191.3
[M+CH3COO]- 429.17279 206.4
[M+Na-2H]- 391.13361 191.0
[M]+ 370.15839 182.1
[M]- 370.15949 182.1
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.