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 157.6
[M+Na]+ 294.10354 165.8
[M-H]- 270.10704 159.7
[M+NH4]+ 289.14814 173.9
[M+K]+ 310.07748 159.8
[M+H-H2O]+ 254.11158 149.4
[M+HCOO]- 316.11252 171.9
[M+CH3COO]- 330.12817 168.5
[M+Na-2H]- 292.08899 164.8
[M]+ 271.11377 159.2
[M]- 271.11487 159.2
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

patents stripe