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 162.0
[M+Na]+ 309.12702 169.9
[M-H]- 285.13052 165.8
[M+NH4]+ 304.17162 178.3
[M+K]+ 325.10096 159.6
[M+H-H2O]+ 269.13506 156.5
[M+HCOO]- 331.13600 175.3
[M+CH3COO]- 345.15165 200.3
[M+Na-2H]- 307.11247 172.1
[M]+ 286.13725 163.3
[M]- 286.13835 163.3
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.