CID 3048165

D 283

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1439 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15118 185.6
[M+Na]+ 410.13312 197.5
[M+NH4]+ 405.17772 194.1
[M+K]+ 426.10706 185.4
[M-H]- 386.13662 189.0
[M+Na-2H]- 408.11857 190.6
[M]+ 387.14335 189.2
[M]- 387.14445 189.2
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.