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 174.6
[M-H]- 298.13835 171.0
[M+NH4]+ 317.17945 183.3
[M+K]+ 338.10879 170.2
[M+H-H2O]+ 282.14289 159.1
[M+HCOO]- 344.14383 180.7
[M+CH3COO]- 358.15948 178.0
[M+Na-2H]- 320.12030 172.1
[M]+ 299.14508 170.6
[M]- 299.14618 170.6
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.