CID 22425

Pipazethate

Structural Information

Molecular Formula
C21H25N3O3S
SMILES
C1CCN(CC1)CCOCCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2
InChIKey
DTVJXCOMJLLMAK-UHFFFAOYSA-N
Compound name
2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

21
References

711
Patents

399.16165 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16893 192.5
[M+Na]+ 422.15087 205.1
[M+NH4]+ 417.19547 200.0
[M+K]+ 438.12481 195.0
[M-H]- 398.15437 195.7
[M+Na-2H]- 420.13632 197.8
[M]+ 399.16110 195.6
[M]- 399.16220 195.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe