CID 3051593

D 202

Structural Information

Molecular Formula
C17H21N3S
SMILES
CCN(CC)CCN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C17H21N3S/c1-3-19(4-2)12-13-20-14-8-5-6-9-15(14)21-16-10-7-11-18-17(16)20/h5-11H,3-4,12-13H2,1-2H3
InChIKey
PORVDLHJSPWDPW-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine
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 168.2
[M+Na]+ 322.13485 182.3
[M+NH4]+ 317.17945 178.0
[M+K]+ 338.10879 171.2
[M-H]- 298.13835 172.6
[M+Na-2H]- 320.12030 175.1
[M]+ 299.14508 172.1
[M]- 299.14618 172.1
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.