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 167.5
[M+Na]+ 322.13485 174.7
[M-H]- 298.13835 170.7
[M+NH4]+ 317.17945 183.2
[M+K]+ 338.10879 169.7
[M+H-H2O]+ 282.14289 158.6
[M+HCOO]- 344.14383 181.5
[M+CH3COO]- 358.15948 177.9
[M+Na-2H]- 320.12030 172.9
[M]+ 299.14508 170.9
[M]- 299.14618 170.9
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.