CID 3051456

D 204

Structural Information

Molecular Formula
C17H21N3S
SMILES
CC(CN1C2=CC=CC=C2SC3=C1N=CC=C3)CN(C)C
InChI
InChI=1S/C17H21N3S/c1-13(11-19(2)3)12-20-14-7-4-5-8-15(14)21-16-9-6-10-18-17(16)20/h4-10,13H,11-12H2,1-3H3
InChIKey
PMHMRJXNWCSRMC-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.14563 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15291 167.8
[M+Na]+ 322.13485 181.6
[M+NH4]+ 317.17945 177.6
[M+K]+ 338.10879 171.3
[M-H]- 298.13835 172.1
[M+Na-2H]- 320.12030 174.5
[M]+ 299.14508 171.6
[M]- 299.14618 171.6
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.