CID 3048189

D 242

Structural Information

Molecular Formula
C24H23N3O2S
SMILES
C1CN(CCC1OC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C24H23N3O2S/c28-24(29-19-12-15-26(16-13-19)17-18-7-2-1-3-8-18)27-20-9-4-5-10-21(20)30-22-11-6-14-25-23(22)27/h1-11,14,19H,12-13,15-17H2
InChIKey
HUGFURIRKMWCBO-UHFFFAOYSA-N
Compound name
(1-benzylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1511 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.15838 196.3
[M+Na]+ 440.14032 212.1
[M+NH4]+ 435.18492 205.0
[M+K]+ 456.11426 200.6
[M-H]- 416.14382 202.9
[M+Na-2H]- 438.12577 205.2
[M]+ 417.15055 201.1
[M]- 417.15165 201.1
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.