CID 3051465

67465-78-5

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]+ 328.14781 173.2
[M+Na]+ 350.12975 179.3
[M-H]- 326.13325 176.4
[M+NH4]+ 345.17435 183.9
[M+K]+ 366.10369 174.2
[M+H-H2O]+ 310.13779 162.7
[M+HCOO]- 372.13873 180.8
[M+CH3COO]- 386.15438 181.7
[M+Na-2H]- 348.11520 177.8
[M]+ 327.13998 171.8
[M]- 327.14108 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.