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 166.6
[M+Na]+ 323.14266 174.0
[M-H]- 299.14616 170.2
[M+NH4]+ 318.18726 182.2
[M+K]+ 339.11660 163.4
[M+H-H2O]+ 283.15070 160.8
[M+HCOO]- 345.15164 179.5
[M+CH3COO]- 359.16729 203.3
[M+Na-2H]- 321.12811 176.1
[M]+ 300.15289 168.1
[M]- 300.15399 168.1
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.