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 173.4
[M+Na]+ 368.08617 180.5
[M-H]- 344.08967 176.1
[M+NH4]+ 363.13077 187.3
[M+K]+ 384.06011 175.0
[M+H-H2O]+ 328.09421 165.5
[M+HCOO]- 390.09515 181.3
[M+CH3COO]- 404.11080 182.7
[M+Na-2H]- 366.07162 177.1
[M]+ 345.09640 177.8
[M]- 345.09750 177.8
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.