CID 3048473

D 260

Structural Information

Molecular Formula
C17H19N3OS2
SMILES
CN(C)CCCSC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C17H19N3OS2/c1-19(2)11-6-12-22-17(21)20-13-7-3-4-8-14(13)23-15-9-5-10-18-16(15)20/h3-5,7-10H,6,11-12H2,1-2H3
InChIKey
RDIQUCLZOZPQIH-UHFFFAOYSA-N
Compound name
S-[3-(dimethylamino)propyl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.09695 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10423 173.2
[M+Na]+ 368.08617 185.7
[M+NH4]+ 363.13077 182.2
[M+K]+ 384.06011 174.3
[M-H]- 344.08967 176.8
[M+Na-2H]- 366.07162 178.9
[M]+ 345.09640 177.0
[M]- 345.09750 177.0
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.