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 197.2
[M+Na]+ 440.14032 202.0
[M-H]- 416.14382 202.4
[M+NH4]+ 435.18492 204.6
[M+K]+ 456.11426 194.8
[M+H-H2O]+ 400.14836 185.0
[M+HCOO]- 462.14930 203.9
[M+CH3COO]- 476.16495 203.6
[M+Na-2H]- 438.12577 199.5
[M]+ 417.15055 194.7
[M]- 417.15165 194.7
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.