CID 297070

D 259

Structural Information

Molecular Formula
C20H25N3OS2
SMILES
CC(C)N(CCSC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3)C(C)C
InChI
InChI=1S/C20H25N3OS2/c1-14(2)22(15(3)4)12-13-25-20(24)23-16-8-5-6-9-17(16)26-18-10-7-11-21-19(18)23/h5-11,14-15H,12-13H2,1-4H3
InChIKey
PZPFYZBVSSWUGH-UHFFFAOYSA-N
Compound name
S-[2-[di(propan-2-yl)amino]ethyl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.1439 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15118 185.7
[M+Na]+ 410.13312 190.5
[M-H]- 386.13662 187.7
[M+NH4]+ 405.17772 197.6
[M+K]+ 426.10706 185.5
[M+H-H2O]+ 370.14116 177.6
[M+HCOO]- 432.14210 190.4
[M+CH3COO]- 446.15775 225.3
[M+Na-2H]- 408.11857 186.4
[M]+ 387.14335 190.0
[M]- 387.14445 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.