CID 3048193

D 257

Structural Information

Molecular Formula
C22H29N3O2S
SMILES
CCCCN(CCCC)CCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C22H29N3O2S/c1-3-5-14-24(15-6-4-2)16-17-27-22(26)25-18-10-7-8-11-19(18)28-20-12-9-13-23-21(20)25/h7-13H,3-6,14-17H2,1-2H3
InChIKey
FXLRHWQSSCQQQH-UHFFFAOYSA-N
Compound name
2-(dibutylamino)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.19806 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20534 195.6
[M+Na]+ 422.18728 207.3
[M+NH4]+ 417.23188 203.0
[M+K]+ 438.16122 196.9
[M-H]- 398.19078 198.4
[M+Na-2H]- 420.17273 200.1
[M]+ 399.19751 198.5
[M]- 399.19861 198.5
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.