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 185.8
[M+Na]+ 410.13312 191.4
[M-H]- 386.13662 187.8
[M+NH4]+ 405.17772 197.9
[M+K]+ 426.10706 185.3
[M+H-H2O]+ 370.14116 177.3
[M+HCOO]- 432.14210 192.7
[M+CH3COO]- 446.15775 223.6
[M+Na-2H]- 408.11857 188.1
[M]+ 387.14335 191.1
[M]- 387.14445 191.1
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.