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 196.0
[M+Na]+ 422.18728 200.3
[M-H]- 398.19078 198.1
[M+NH4]+ 417.23188 207.1
[M+K]+ 438.16122 195.5
[M+H-H2O]+ 382.19532 185.9
[M+HCOO]- 444.19626 207.7
[M+CH3COO]- 458.21191 227.6
[M+Na-2H]- 420.17273 198.1
[M]+ 399.19751 202.3
[M]- 399.19861 202.3
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.