CID 48060

D 267

Structural Information

Molecular Formula
C17H22N3S
SMILES
C[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C17H22N3S/c1-20(2,3)13-7-12-19-14-8-4-5-9-15(14)21-16-10-6-11-18-17(16)19/h4-6,8-11H,7,12-13H2,1-3H3/q+1
InChIKey
QNMYIQFCOYGJTE-UHFFFAOYSA-N
Compound name
trimethyl(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.15344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16072 165.1
[M+Na]+ 323.14266 181.5
[M+NH4]+ 318.18726 176.3
[M+K]+ 339.11660 171.2
[M-H]- 299.14616 171.1
[M+Na-2H]- 321.12811 173.7
[M]+ 300.15289 170.3
[M]- 300.15399 170.3
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.