CID 48053

D 220

Structural Information

Molecular Formula
C16H20N3S
SMILES
C[N+](C)(C)CCN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C16H20N3S/c1-19(2,3)12-11-18-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)18/h4-10H,11-12H2,1-3H3/q+1
InChIKey
YCKQQLWEECDFFO-UHFFFAOYSA-N
Compound name
trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14508 160.6
[M+Na]+ 309.12702 177.2
[M+NH4]+ 304.17162 172.0
[M+K]+ 325.10096 167.2
[M-H]- 285.13052 166.7
[M+Na-2H]- 307.11247 169.5
[M]+ 286.13725 165.9
[M]- 286.13835 165.9
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.