CID 49883

D 209

Structural Information

Molecular Formula
C18H23N3S
SMILES
CCN(CC)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C18H23N3S/c1-3-20(4-2)13-8-14-21-15-9-5-6-10-16(15)22-17-11-7-12-19-18(17)21/h5-7,9-12H,3-4,8,13-14H2,1-2H3
InChIKey
ZAKYHFNSOVAXPU-UHFFFAOYSA-N
Compound name
N,N-diethyl-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

313.16125 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16853 172.6
[M+Na]+ 336.15047 186.5
[M+NH4]+ 331.19507 182.3
[M+K]+ 352.12441 175.2
[M-H]- 312.15397 177.0
[M+Na-2H]- 334.13592 179.3
[M]+ 313.16070 176.5
[M]- 313.16180 176.5
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.