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 171.9
[M+Na]+ 336.15047 178.6
[M-H]- 312.15397 174.8
[M+NH4]+ 331.19507 187.0
[M+K]+ 352.12441 173.4
[M+H-H2O]+ 296.15851 162.8
[M+HCOO]- 358.15945 185.5
[M+CH3COO]- 372.17510 181.8
[M+Na-2H]- 334.13592 176.8
[M]+ 313.16070 175.6
[M]- 313.16180 175.6
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.