CID 3051459

Brn 1001408

Structural Information

Molecular Formula
C15H17N3S
SMILES
CNCCCN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C15H17N3S/c1-16-9-5-11-18-12-6-2-3-7-13(12)19-14-8-4-10-17-15(14)18/h2-4,6-8,10,16H,5,9,11H2,1H3
InChIKey
AEMFHCSBNWXXOO-UHFFFAOYSA-N
Compound name
N-methyl-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

271.11432 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12160 159.4
[M+Na]+ 294.10354 173.8
[M+NH4]+ 289.14814 169.4
[M+K]+ 310.07748 162.7
[M-H]- 270.10704 163.7
[M+Na-2H]- 292.08899 166.6
[M]+ 271.11377 163.3
[M]- 271.11487 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.