CID 3048151

D 716

Structural Information

Molecular Formula
C22H27N3O3S
SMILES
C1CCN(CC1)CCCOCCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C22H27N3O3S/c26-22(28-17-16-27-15-7-14-24-12-4-1-5-13-24)25-18-8-2-3-9-19(18)29-20-10-6-11-23-21(20)25/h2-3,6,8-11H,1,4-5,7,12-17H2
InChIKey
FQTMREOJAJANSF-UHFFFAOYSA-N
Compound name
2-(3-piperidin-1-ylpropoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.1773 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.18458 195.9
[M+Na]+ 436.16652 199.1
[M-H]- 412.17002 197.6
[M+NH4]+ 431.21112 203.7
[M+K]+ 452.14046 193.5
[M+H-H2O]+ 396.17456 184.5
[M+HCOO]- 458.17550 202.2
[M+CH3COO]- 472.19115 201.8
[M+Na-2H]- 434.15197 197.8
[M]+ 413.17675 196.5
[M]- 413.17785 196.5
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.