CID 3048197

D 288

Structural Information

Molecular Formula
C20H25N3O2S2
SMILES
CCN(CC)CCSCCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C20H25N3O2S2/c1-3-22(4-2)12-14-26-15-13-25-20(24)23-16-8-5-6-9-17(16)27-18-10-7-11-21-19(18)23/h5-11H,3-4,12-15H2,1-2H3
InChIKey
QKOOVBDHBFECGB-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethylsulfanyl]ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.13882 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14610 189.1
[M+Na]+ 426.12804 194.4
[M-H]- 402.13154 191.0
[M+NH4]+ 421.17264 200.4
[M+K]+ 442.10198 188.9
[M+H-H2O]+ 386.13608 180.4
[M+HCOO]- 448.13702 196.2
[M+CH3COO]- 462.15267 225.6
[M+Na-2H]- 424.11349 191.7
[M]+ 403.13827 195.8
[M]- 403.13937 195.8
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.