CID 3051465

Brn 1023925

Structural Information

Molecular Formula
C18H21N3OS
SMILES
C1COCCN1CCCN2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C18H21N3OS/c1-2-6-16-15(5-1)21(18-17(23-16)7-3-8-19-18)10-4-9-20-11-13-22-14-12-20/h1-3,5-8H,4,9-14H2
InChIKey
IAEXWMMGYDTCND-UHFFFAOYSA-N
Compound name
4-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14053 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.147806 173.2
[M+Na]+ 350.129748 179.3
[M-H]- 326.133254 176.4
[M+NH4]+ 345.174353 183.9
[M+K]+ 366.103688 174.2
[M+H-H2O]+ 310.137790 162.7
[M+HCOO]- 372.138731 180.8
[M+CH3COO]- 386.154381 181.7
[M+Na-2H]- 348.115196 177.8
[M]+ 327.13998142 171.8
[M]- 327.14107858 171.8
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.